N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide

C13H15N3O3S2 — CID 60724898

IUPACN-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C13H15N3O3S2/c1-9-12(20-13(17)15-9)21(18,19)16(11-5-6-11)8-10-4-2-3-7-14-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,17)
InChIKeyILDYOCPEASZWIU-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.49
Rot. Bonds5

About N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide

N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60724898) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID60724898
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C13H15N3O3S2/c1-9-12(20-13(17)15-9)21(18,19)16(11-5-6-11)8-10-4-2-3-7-14-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,17)
InChIKeyILDYOCPEASZWIU-UHFFFAOYSA-N
XLogP1.49
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide (CID 60724898) is N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(Cc1ccccn1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is ILDYOCPEASZWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-9-12(20-13(17)15-9)21(18,19)16(11-5-6-11)8-10-4-2-3-7-14-10/h2-4,7,11H,5-6,8H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 325.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-2-oxo-N-(pyridin-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60724898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).