3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide

C13H15N3O2S2 — CID 61479666

IUPAC3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2nc(C3CC3)cs2)c1
InChIInChI=1S/C13H15N3O2S2/c1-8-4-10(14)6-11(5-8)20(17,18)16-13-15-12(7-19-13)9-2-3-9/h4-7,9H,2-3,14H2,1H3,(H,15,16)
InChIKeyWMVHQUUOMHYQND-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.71
Rot. Bonds4

About 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide

3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide (PubChem CID 61479666) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
PubChem CID61479666
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2nc(C3CC3)cs2)c1
InChIInChI=1S/C13H15N3O2S2/c1-8-4-10(14)6-11(5-8)20(17,18)16-13-15-12(7-19-13)9-2-3-9/h4-7,9H,2-3,14H2,1H3,(H,15,16)
InChIKeyWMVHQUUOMHYQND-UHFFFAOYSA-N
XLogP2.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide (CID 61479666) is 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2nc(C3CC3)cs2)c1.
What is the InChIKey of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide?
The InChIKey is WMVHQUUOMHYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-8-4-10(14)6-11(5-8)20(17,18)16-13-15-12(7-19-13)9-2-3-9/h4-7,9H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide?
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide has a molecular weight of 309.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 61479666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).