4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine

C13H15ClN2O2S2 — CID 2476375

IUPAC4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-9(2)8-15-13-16-12(11(14)19-13)20(17,18)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyWPAONJKDYDHNOL-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.70
Rot. Bonds5

About 4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine

4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 2476375) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID2476375
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-9(2)8-15-13-16-12(11(14)19-13)20(17,18)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyWPAONJKDYDHNOL-UHFFFAOYSA-N
XLogP3.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 2476375) is 4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine is CC(C)CNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1.
What is the InChIKey of 4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is WPAONJKDYDHNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-9(2)8-15-13-16-12(11(14)19-13)20(17,18)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,16).
What are the key properties of 4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine?
4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 330.86 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-chloro-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2476375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).