5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine

C10H9ClN2O2S3 — CID 2761283

IUPAC5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine
SMILESCSc1nc(N)c(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H9ClN2O2S3/c1-16-10-13-8(12)9(17-10)18(14,15)7-4-2-6(11)3-5-7/h2-5H,12H2,1H3
InChIKeyRYWVPEISWBPKFW-UHFFFAOYSA-N
MW320.85 g/mol
LogP2.93
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine

5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine (PubChem CID 2761283) has the molecular formula C10H9ClN2O2S3 and a molecular weight of 320.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine
PubChem CID2761283
Molecular FormulaC10H9ClN2O2S3
Molecular Weight320.85 g/mol
Exact Mass319.95
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine
SMILESCSc1nc(N)c(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H9ClN2O2S3/c1-16-10-13-8(12)9(17-10)18(14,15)7-4-2-6(11)3-5-7/h2-5H,12H2,1H3
InChIKeyRYWVPEISWBPKFW-UHFFFAOYSA-N
XLogP2.93
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 847131
5-Chloro-4-(phenylsulfonyl)-1,3-thiazol-2-amine
CID 676564
4-{[(4-Chlorophenyl)sulfonyl]methyl}-1,3-thiazol-2-amine
CID 750249
5-Chloro-4-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-amine
CID 18775386
4-(4-chlorophenyl)sulfonyl-N-methyl-2-methylsulfonyl-1,3-thiazol-5-amine
CID 20888700
5-Chloro-4-(4-chlorobenzenesulfonyl)-2-(methylsulfanyl)-1,3-thiazole
CID 35399957
4-Amino-2-methylthio-5-(phenylsulfonyl)thiazole
CID 2761277
4-Amino-2-isopropylthio-5-(phenylsulfonyl)thiazole
CID 2761278
5-(4-Chlorophenyl)sulfonyl-1,3-thiazol-2-amine
CID 87904343
4-chloro-N-(4-ethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 173093822
4-Amino-5-(4-chlorophenylsulfonyl)-2-(propylthio)thiazole
CID 2761273
2-[2-(4-Chlorophenyl)sulfonylethylsulfanyl]-4-methyl-1,3-thiazole
CID 18130638

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine (CID 2761283) is 5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine is CSc1nc(N)c(S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine?
The InChIKey is RYWVPEISWBPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S3/c1-16-10-13-8(12)9(17-10)18(14,15)7-4-2-6(11)3-5-7/h2-5H,12H2,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine?
5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine has a molecular weight of 320.85 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine is sourced from PubChem (CID 2761283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).