2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole

C16H9ClN2S3 — CID 11726073

IUPAC2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3nc(-c4cccs4)cs3)n2)cc1
InChIInChI=1S/C16H9ClN2S3/c17-11-5-3-10(4-6-11)12-8-21-15(18-12)16-19-13(9-22-16)14-2-1-7-20-14/h1-9H
InChIKeyDTYHVFPYRKLFMI-UHFFFAOYSA-N
MW360.92 g/mol
LogP6.32
Rot. Bonds3

About 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole (PubChem CID 11726073) has the molecular formula C16H9ClN2S3 and a molecular weight of 360.92 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
PubChem CID11726073
Molecular FormulaC16H9ClN2S3
Molecular Weight360.92 g/mol
Exact Mass359.96
IUPAC Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3nc(-c4cccs4)cs3)n2)cc1
InChIInChI=1S/C16H9ClN2S3/c17-11-5-3-10(4-6-11)12-8-21-15(18-12)16-19-13(9-22-16)14-2-1-7-20-14/h1-9H
InChIKeyDTYHVFPYRKLFMI-UHFFFAOYSA-N
XLogP6.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.92
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
CID 100596517
4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole
CID 52912871
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 46245962
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
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CID 1473815
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-thiophen-2-ylpyridine
CID 102488794
4-[6-(4-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137175137
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108772112
N,N-dimethyl-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridin-2-amine
CID 142178647
2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2741010
2-(furan-2-yl)-4-thiophen-2-yl-1,3-thiazole
CID 6472219
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole (CID 11726073) is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole is Clc1ccc(-c2csc(-c3nc(-c4cccs4)cs3)n2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is DTYHVFPYRKLFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2S3/c17-11-5-3-10(4-6-11)12-8-21-15(18-12)16-19-13(9-22-16)14-2-1-7-20-14/h1-9H.
What are the key properties of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole?
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 360.92 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 11726073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).