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Home > Thiazole > 1042777-93-4
1042777-93-4 | 1-(1,3-thiazol-4-ylmethyl)-1,4-diazepane
CAS No: 1042777-93-4 Catalog No: AG01AA13 MDL No:MFCD11170993
Product Description
Catalog Number:
AG01AA13
Chemical Name:
1-(1,3-thiazol-4-ylmethyl)-1,4-diazepane
CAS Number:
1042777-93-4
Molecular Formula:
C9H15N3S
Molecular Weight:
197.3005
MDL Number:
MFCD11170993
IUPAC Name:
4-(1,4-diazepan-1-ylmethyl)-1,3-thiazole
InChI:
InChI=1S/C9H15N3S/c1-2-10-3-5-12(4-1)6-9-7-13-8-11-9/h7-8,10H,1-6H2
InChI Key:
UQJQXOABQSIGCG-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)Cc1ncsc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.3g/mol
Monoisotopic Mass:
197.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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