4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole

C14H10ClNO2S3 — CID 2819915

IUPAC4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1
InChIInChI=1S/C14H10ClNO2S3/c15-11-5-3-10(4-6-11)12-8-20-13(16-12)9-21(17,18)14-2-1-7-19-14/h1-8H,9H2
InChIKeyYIULQOBMJQFWGP-UHFFFAOYSA-N
MW355.89 g/mol
LogP4.50
Rot. Bonds4

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

4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole (PubChem CID 2819915) has the molecular formula C14H10ClNO2S3 and a molecular weight of 355.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
PubChem CID2819915
Molecular FormulaC14H10ClNO2S3
Molecular Weight355.89 g/mol
Exact Mass354.96
IUPAC Name4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1
InChIInChI=1S/C14H10ClNO2S3/c15-11-5-3-10(4-6-11)12-8-20-13(16-12)9-21(17,18)14-2-1-7-19-14/h1-8H,9H2
InChIKeyYIULQOBMJQFWGP-UHFFFAOYSA-N
XLogP4.50
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-Chloro-phenyl)-thiazol-2-yl]-cyclopentylidene-acetonitrile
CID 742475
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]ethanethioamide
CID 2350672
4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9929077
2-(2-Chloro-phenyl)-5-(4-methanesulfonyl-phenyl)-4-thiophen-2-yl-thiazole
CID 22911990
2-(2-Chloro-phenyl)-5-(4-methanesulfonyl-phenyl)-4-thiophen-3-yl-thiazole
CID 22912244
4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890
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
5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 5310037
4-(4-Chloro-phenyl)-2-(2,2-dimethyl-tetrahydro-thiopyran-4-yl)-thiazole
CID 11957319
2-[(Tert-butylsulfonyl)methyl]-4-(3,4-dichlorophenyl)-1,3-thiazole
CID 2742366
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
CID 329187

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole (CID 2819915) is 4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole is O=S(=O)(Cc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
The InChIKey is YIULQOBMJQFWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S3/c15-11-5-3-10(4-6-11)12-8-20-13(16-12)9-21(17,18)14-2-1-7-19-14/h1-8H,9H2.
What are the key properties of 4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole has a molecular weight of 355.89 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 2819915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).