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

C9H8ClNO2S3 — CID 71874688

IUPAC4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCS(=O)(=O)Cc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H8ClNO2S3/c1-16(12,13)5-9-11-6(4-14-9)7-2-3-8(10)15-7/h2-4H,5H2,1H3
InChIKeyMCLQMLADENIUQI-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.07
Rot. Bonds3

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

4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole (PubChem CID 71874688) has the molecular formula C9H8ClNO2S3 and a molecular weight of 293.82 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
PubChem CID71874688
Molecular FormulaC9H8ClNO2S3
Molecular Weight293.82 g/mol
Exact Mass292.94
IUPAC Name4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole
SMILESCS(=O)(=O)Cc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H8ClNO2S3/c1-16(12,13)5-9-11-6(4-14-9)7-2-3-8(10)15-7/h2-4H,5H2,1H3
InChIKeyMCLQMLADENIUQI-UHFFFAOYSA-N
XLogP3.07
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole (CID 71874688) is 4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole is CS(=O)(=O)Cc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole?
The InChIKey is MCLQMLADENIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2S3/c1-16(12,13)5-9-11-6(4-14-9)7-2-3-8(10)15-7/h2-4H,5H2,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole?
4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole has a molecular weight of 293.82 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-(methylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 71874688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).