5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C13H10ClN3O2S3 — CID 2136921

IUPAC5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc(Nc3nccs3)sc2Cl)cc1
InChIInChI=1S/C13H10ClN3O2S3/c1-8-2-4-9(5-3-8)22(18,19)11-10(14)21-13(16-11)17-12-15-6-7-20-12/h2-7H,1H3,(H,15,16,17)
InChIKeyZLIRQUKNUPCUDB-UHFFFAOYSA-N
MW371.90 g/mol
LogP4.14
Rot. Bonds4

About 5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 2136921) has the molecular formula C13H10ClN3O2S3 and a molecular weight of 371.90 g/mol. Its IUPAC name is 5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID2136921
Molecular FormulaC13H10ClN3O2S3
Molecular Weight371.90 g/mol
Exact Mass370.96
IUPAC Name5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc(Nc3nccs3)sc2Cl)cc1
InChIInChI=1S/C13H10ClN3O2S3/c1-8-2-4-9(5-3-8)22(18,19)11-10(14)21-13(16-11)17-12-15-6-7-20-12/h2-7H,1H3,(H,15,16,17)
InChIKeyZLIRQUKNUPCUDB-UHFFFAOYSA-N
XLogP4.14
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.90
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 2136921) is 5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is Cc1ccc(S(=O)(=O)c2nc(Nc3nccs3)sc2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is ZLIRQUKNUPCUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S3/c1-8-2-4-9(5-3-8)22(18,19)11-10(14)21-13(16-11)17-12-15-6-7-20-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of 5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 371.90 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2136921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).