5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C12H8ClN3S2 — CID 82106922

IUPAC5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nccs2)c(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H8ClN3S2/c13-8-3-1-7(2-4-8)10-9(16-12(14)18-10)11-15-5-6-17-11/h1-6H,(H2,14,16)
InChIKeyCUYLPVUFIHDUIK-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.17
Rot. Bonds2

About 5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 82106922) has the molecular formula C12H8ClN3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID82106922
Molecular FormulaC12H8ClN3S2
Molecular Weight293.80 g/mol
Exact Mass292.98
IUPAC Name5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nccs2)c(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H8ClN3S2/c13-8-3-1-7(2-4-8)10-9(16-12(14)18-10)11-15-5-6-17-11/h1-6H,(H2,14,16)
InChIKeyCUYLPVUFIHDUIK-UHFFFAOYSA-N
XLogP4.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2806464
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
CID 134095812
6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 119087949
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
CID 21409105
4-(4-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 11184721
4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine
CID 141101949
4-(2-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 82106645
6-(1,3-thiazol-2-yl)quinoxalin-2-amine
CID 119094972
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine
CID 82106545

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 82106922) is 5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2nccs2)c(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is CUYLPVUFIHDUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S2/c13-8-3-1-7(2-4-8)10-9(16-12(14)18-10)11-15-5-6-17-11/h1-6H,(H2,14,16).
What are the key properties of 5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 293.80 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82106922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).