4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole

C12H8ClNO2S4 — CID 2809433

IUPAC4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(-c2ccc(Cl)s2)cs1)c1cccs1
InChIInChI=1S/C12H8ClNO2S4/c13-10-4-3-9(19-10)8-6-18-11(14-8)7-20(15,16)12-2-1-5-17-12/h1-6H,7H2
InChIKeyRNWCXVNZHBPXSO-UHFFFAOYSA-N
MW361.92 g/mol
LogP4.56
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole

4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole (PubChem CID 2809433) has the molecular formula C12H8ClNO2S4 and a molecular weight of 361.92 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
PubChem CID2809433
Molecular FormulaC12H8ClNO2S4
Molecular Weight361.92 g/mol
Exact Mass360.91
IUPAC Name4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(-c2ccc(Cl)s2)cs1)c1cccs1
InChIInChI=1S/C12H8ClNO2S4/c13-10-4-3-9(19-10)8-6-18-11(14-8)7-20(15,16)12-2-1-5-17-12/h1-6H,7H2
InChIKeyRNWCXVNZHBPXSO-UHFFFAOYSA-N
XLogP4.56
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-2-thiophenesulfonamide
CID 2738769
4-chloro-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738778
2,4-Dithiophen-2-ylthiazole
CID 2546578
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl Chloride
CID 2736979
acs.jmedchem.1c00409_ST.589
CID 162533870
4-(5-Chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole bromide
CID 44415172
4-[(4-Chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 2740511
4-(2-Chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
CID 2819918
4-Tert-butyl-2-[3-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]-1,3-thiazole
CID 2739637
4-(5-Chlorothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole
CID 2809440
N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide
CID 53139159
4-(4-Chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
CID 2819915

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole (CID 2809433) is 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole is O=S(=O)(Cc1nc(-c2ccc(Cl)s2)cs1)c1cccs1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
The InChIKey is RNWCXVNZHBPXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2S4/c13-10-4-3-9(19-10)8-6-18-11(14-8)7-20(15,16)12-2-1-5-17-12/h1-6H,7H2.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole has a molecular weight of 361.92 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 2809433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).