3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide

C14H17N3O2S2 — CID 61479839

IUPAC3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C14H17N3O2S2/c1-8-3-6-11(15)9(2)13(8)21(18,19)17-14-16-12(7-20-14)10-4-5-10/h3,6-7,10H,4-5,15H2,1-2H3,(H,16,17)
InChIKeyYILDNQWRTOKBGV-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.02
Rot. Bonds4

About 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide

3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide (PubChem CID 61479839) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide
PubChem CID61479839
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C14H17N3O2S2/c1-8-3-6-11(15)9(2)13(8)21(18,19)17-14-16-12(7-20-14)10-4-5-10/h3,6-7,10H,4-5,15H2,1-2H3,(H,16,17)
InChIKeyYILDNQWRTOKBGV-UHFFFAOYSA-N
XLogP3.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.02
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)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide (CID 61479839) is 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is YILDNQWRTOKBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-8-3-6-11(15)9(2)13(8)21(18,19)17-14-16-12(7-20-14)10-4-5-10/h3,6-7,10H,4-5,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.02, 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)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 61479839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).