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

C12H13ClN2O2S3 — CID 2761273

IUPAC5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine
SMILESCCCSc1nc(N)c(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H13ClN2O2S3/c1-2-7-18-12-15-10(14)11(19-12)20(16,17)9-5-3-8(13)4-6-9/h3-6H,2,7,14H2,1H3
InChIKeyQVJFIQKKFBSHPQ-UHFFFAOYSA-N
MW348.90 g/mol
LogP3.71
Rot. Bonds5

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

5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine (PubChem CID 2761273) has the molecular formula C12H13ClN2O2S3 and a molecular weight of 348.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine
PubChem CID2761273
Molecular FormulaC12H13ClN2O2S3
Molecular Weight348.90 g/mol
Exact Mass347.98
IUPAC Name5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine
SMILESCCCSc1nc(N)c(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H13ClN2O2S3/c1-2-7-18-12-15-10(14)11(19-12)20(16,17)9-5-3-8(13)4-6-9/h3-6H,2,7,14H2,1H3
InChIKeyQVJFIQKKFBSHPQ-UHFFFAOYSA-N
XLogP3.71
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine (CID 2761273) is 5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine is CCCSc1nc(N)c(S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine?
The InChIKey is QVJFIQKKFBSHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S3/c1-2-7-18-12-15-10(14)11(19-12)20(16,17)9-5-3-8(13)4-6-9/h3-6H,2,7,14H2,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine?
5-(4-chlorophenyl)sulfonyl-2-propylsulfanyl-1,3-thiazol-4-amine has a molecular weight of 348.90 g/mol, XLogP of 3.71, 5 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-propylsulfanyl-1,3-thiazol-4-amine is sourced from PubChem (CID 2761273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).