4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole

C15H9ClN4S2 — CID 52912871

IUPAC4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole
SMILESClc1ccc(-c2csc(-n3cc(-c4cccs4)nn3)n2)cc1
InChIInChI=1S/C15H9ClN4S2/c16-11-5-3-10(4-6-11)13-9-22-15(17-13)20-8-12(18-19-20)14-2-1-7-21-14/h1-9H
InChIKeyGWZVETBBRLFXCD-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.77
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole

4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole (PubChem CID 52912871) has the molecular formula C15H9ClN4S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole
PubChem CID52912871
Molecular FormulaC15H9ClN4S2
Molecular Weight344.85 g/mol
Exact Mass344.00
IUPAC Name4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole
SMILESClc1ccc(-c2csc(-n3cc(-c4cccs4)nn3)n2)cc1
InChIInChI=1S/C15H9ClN4S2/c16-11-5-3-10(4-6-11)13-9-22-15(17-13)20-8-12(18-19-20)14-2-1-7-21-14/h1-9H
InChIKeyGWZVETBBRLFXCD-UHFFFAOYSA-N
XLogP4.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863
2-chloro-5-(4-thiophen-2-yltriazol-1-yl)aniline
CID 82369915
[1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82221219
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-thiophen-2-ylpyridine
CID 102488794
4-phenyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-2-amine
CID 10064850
4-[6-(4-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137175137
3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 56998816
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole
CID 702908
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine-3,5-dione
CID 1489710
2-[5-(2,4-dichlorophenyl)pyrazol-1-yl]-4-thiophen-2-yl-1,3-thiazole
CID 3803122

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole (CID 52912871) is 4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole is Clc1ccc(-c2csc(-n3cc(-c4cccs4)nn3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole?
The InChIKey is GWZVETBBRLFXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4S2/c16-11-5-3-10(4-6-11)13-9-22-15(17-13)20-8-12(18-19-20)14-2-1-7-21-14/h1-9H.
What are the key properties of 4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole has a molecular weight of 344.85 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 52912871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).