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

C10H9ClN2O2S2 — CID 763783

IUPAC5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc(N)sc2Cl)cc1
InChIInChI=1S/C10H9ClN2O2S2/c1-6-2-4-7(5-3-6)17(14,15)9-8(11)16-10(12)13-9/h2-5H,1H3,(H2,12,13)
InChIKeyOASFRGZUWKBTMY-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.52
Rot. Bonds2

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

5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine (PubChem CID 763783) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
PubChem CID763783
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)c2nc(N)sc2Cl)cc1
InChIInChI=1S/C10H9ClN2O2S2/c1-6-2-4-7(5-3-6)17(14,15)9-8(11)16-10(12)13-9/h2-5H,1H3,(H2,12,13)
InChIKeyOASFRGZUWKBTMY-UHFFFAOYSA-N
XLogP2.52
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine (CID 763783) is 5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine is Cc1ccc(S(=O)(=O)c2nc(N)sc2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
The InChIKey is OASFRGZUWKBTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c1-6-2-4-7(5-3-6)17(14,15)9-8(11)16-10(12)13-9/h2-5H,1H3,(H2,12,13).
What are the key properties of 5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine?
5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine has a molecular weight of 288.78 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 763783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).