N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide

C13H17N3O2S2 — CID 103413967

IUPACN-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C13H17N3O2S2/c1-3-8-16(12-6-4-11(14)5-7-12)20(17,18)13-9-15-10(2)19-13/h4-7,9H,3,8,14H2,1-2H3
InChIKeyGDAHWPWKQDQRHG-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.64
Rot. Bonds5

About N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide

N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide (PubChem CID 103413967) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
PubChem CID103413967
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C13H17N3O2S2/c1-3-8-16(12-6-4-11(14)5-7-12)20(17,18)13-9-15-10(2)19-13/h4-7,9H,3,8,14H2,1-2H3
InChIKeyGDAHWPWKQDQRHG-UHFFFAOYSA-N
XLogP2.64
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide (CID 103413967) is N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide is CCCN(c1ccc(N)cc1)S(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
The InChIKey is GDAHWPWKQDQRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-3-8-16(12-6-4-11(14)5-7-12)20(17,18)13-9-15-10(2)19-13/h4-7,9H,3,8,14H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103413967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).