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

C14H10ClNO2S3 — CID 2819918

IUPAC4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(-c2ccccc2Cl)cs1)c1cccs1
InChIInChI=1S/C14H10ClNO2S3/c15-11-5-2-1-4-10(11)12-8-20-13(16-12)9-21(17,18)14-6-3-7-19-14/h1-8H,9H2
InChIKeyQLHCECXRXKSZGP-UHFFFAOYSA-N
MW355.89 g/mol
LogP4.50
Rot. Bonds4

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

4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole (PubChem CID 2819918) has the molecular formula C14H10ClNO2S3 and a molecular weight of 355.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
PubChem CID2819918
Molecular FormulaC14H10ClNO2S3
Molecular Weight355.89 g/mol
Exact Mass354.96
IUPAC Name4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1nc(-c2ccccc2Cl)cs1)c1cccs1
InChIInChI=1S/C14H10ClNO2S3/c15-11-5-2-1-4-10(11)12-8-20-13(16-12)9-21(17,18)14-6-3-7-19-14/h1-8H,9H2
InChIKeyQLHCECXRXKSZGP-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole (CID 2819918) is 4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole is O=S(=O)(Cc1nc(-c2ccccc2Cl)cs1)c1cccs1.
What is the InChIKey of 4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
The InChIKey is QLHCECXRXKSZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S3/c15-11-5-2-1-4-10(11)12-8-20-13(16-12)9-21(17,18)14-6-3-7-19-14/h1-8H,9H2.
What are the key properties of 4-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole?
4-(2-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-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 2819918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).