CAS 100987-04-0 | 1,3,4-Thiadiazol-2-amine, 5-[4-(1,1-dimethylethyl)phenyl]- | CAS Number 100987-04-0

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100987-04-0 | 1,3,4-Thiadiazol-2-amine, 5-[4-(1,1-dimethylethyl)phenyl]-

CAS No: 100987-04-0 Catalog No: AG0003DN MDL No:MFCD00980739

Product Description

Catalog Number:

AG0003DN

Chemical Name:

1,3,4-Thiadiazol-2-amine, 5-[4-(1,1-dimethylethyl)phenyl]-

CAS Number:

100987-04-0

Molecular Formula:

C12H15N3S

Molecular Weight:

233.3326

MDL Number:

MFCD00980739

IUPAC Name:

5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-amine

InChI:

InChI=1S/C12H15N3S/c1-12(2,3)9-6-4-8(5-7-9)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15)

InChI Key:

WEVOCASZWAUYHD-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)c1nnc(s1)N)(C)C

Properties

Complexity:

231

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.333g/mol

Monoisotopic Mass:

233.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Small molecules enhance autophagy and reduce toxicity in Huntington's disease models.	Nature chemical biology 20070601
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501