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864684-75-3 | (3-METHYL-ISOTHIAZOL-5-YL)-(PYRIDIN-4-YL)METHYL-AMINE
CAS No: 864684-75-3 Catalog No: AG004MZN MDL No:
Product Description
Catalog Number:
AG004MZN
Chemical Name:
(3-METHYL-ISOTHIAZOL-5-YL)-(PYRIDIN-4-YL)METHYL-AMINE
CAS Number:
864684-75-3
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
IUPAC Name:
3-methyl-N-(pyridin-4-ylmethyl)-1,2-thiazol-5-amine
InChI:
InChI=1S/C10H11N3S/c1-8-6-10(14-13-8)12-7-9-2-4-11-5-3-9/h2-6,12H,7H2,1H3
InChI Key:
CDJAYPKYOPGKPP-UHFFFAOYSA-N
SMILES:
Cc1nsc(c1)NCc1ccncc1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.279g/mol
Monoisotopic Mass:
205.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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