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

C14H10ClNS3 — CID 2740511

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
SMILESClc1ccc(SCc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C14H10ClNS3/c15-11-1-3-13(4-2-11)18-8-12-9-19-14(16-12)10-5-6-17-7-10/h1-7,9H,8H2
InChIKeyOLVZARTUSQCKFD-UHFFFAOYSA-N
MW323.90 g/mol
LogP5.82
Rot. Bonds4

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

4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 2740511) has the molecular formula C14H10ClNS3 and a molecular weight of 323.90 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
PubChem CID2740511
Molecular FormulaC14H10ClNS3
Molecular Weight323.90 g/mol
Exact Mass322.97
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
SMILESClc1ccc(SCc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C14H10ClNS3/c15-11-1-3-13(4-2-11)18-8-12-9-19-14(16-12)10-5-6-17-7-10/h1-7,9H,8H2
InChIKeyOLVZARTUSQCKFD-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.90
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890
4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9929077
4-(5-Chlorothiophen-2-yl)-2-[(thiophene-2-sulfonyl)methyl]-1,3-thiazole hydrobromide
CID 2809433
4-chloro-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738778
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
CID 329187
4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methanesulfinyl-thiophene-2-carboxamidine
CID 18537281
5-Benzylsulfanyl-4-[4-(4-chloro-phenyl)-thiazol-2-yl]-thiophene-2-carboxamidine
CID 18537322
2-(4-Chlorophenyl)-4-methylthiazole
CID 551909
4-(4-Chlorophenyl)-2-phenyl-1,3-thiazole
CID 677859
2-(2,6-Dichlorophenyl)-4-phenyl-1,3-thiazole
CID 71454340
Thiazole, 2-phenyl-4-(2-thienyl)-
CID 2795747
4-(4-Fluorophenyl)-2-thiophen-3-yl-1,3-thiazole
CID 2740465

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole (CID 2740511) is 4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole is Clc1ccc(SCc2csc(-c3ccsc3)n2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is OLVZARTUSQCKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNS3/c15-11-1-3-13(4-2-11)18-8-12-9-19-14(16-12)10-5-6-17-7-10/h1-7,9H,8H2.
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 323.90 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 2740511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).