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1177300-68-3 | N-(3-(1H-Imidazol-1-yl)propyl)-5-chloro-4-methylbenzo[d]thiazol-2-amine
CAS No: 1177300-68-3 Catalog No: AG01FM2Q MDL No:MFCD16631714
Product Description
Catalog Number:
AG01FM2Q
Chemical Name:
N-(3-(1H-Imidazol-1-yl)propyl)-5-chloro-4-methylbenzo[d]thiazol-2-amine
CAS Number:
1177300-68-3
Molecular Formula:
C14H15ClN4S
Molecular Weight:
306.8137
MDL Number:
MFCD16631714
IUPAC Name:
5-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C14H15ClN4S/c1-10-11(15)3-4-12-13(10)18-14(20-12)17-5-2-7-19-8-6-16-9-19/h3-4,6,8-9H,2,5,7H2,1H3,(H,17,18)
InChI Key:
JHFSMAOFMFRMSR-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1C)nc(s2)NCCCn1cncc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.812g/mol
Monoisotopic Mass:
306.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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