4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine

C16H13ClN2OS — CID 768022

IUPAC4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H13ClN2OS/c1-20-14-8-6-13(7-9-14)18-16-19-15(10-21-16)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,18,19)
InChIKeyKJZRUVRVAIKXOV-UHFFFAOYSA-N
MW316.81 g/mol
LogP5.22
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 768022) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID768022
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H13ClN2OS/c1-20-14-8-6-13(7-9-14)18-16-19-15(10-21-16)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,18,19)
InChIKeyKJZRUVRVAIKXOV-UHFFFAOYSA-N
XLogP5.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.81
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol
CID 753704
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
N-aryl-4-aryl-1,3-thiazole-2-amine, 14
CID 25100732
N-aryl-4-aryl-1,3-thiazole-2-amine, 9
CID 25100738
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
N-aryl-4-aryl-1,3-thiazole-2-amine, 11
CID 12440836
N-aryl-4-aryl-1,3-thiazole-2-amine, 13
CID 25100731
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 973153
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone
CID 399617

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 768022) is 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is KJZRUVRVAIKXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-20-14-8-6-13(7-9-14)18-16-19-15(10-21-16)11-2-4-12(17)5-3-11/h2-10H,1H3,(H,18,19).
What are the key properties of 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 316.81 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 768022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).