N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C10H15N3O3S2 — CID 54883852

IUPACN-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H15N3O3S2/c1-4-13(6-7(2)5-11)18(15,16)9-8(3)12-10(14)17-9/h7H,4,6H2,1-3H3,(H,12,14)
InChIKeyPQWOEPPAYLUVPP-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.92
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 54883852) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID54883852
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC NameN-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C10H15N3O3S2/c1-4-13(6-7(2)5-11)18(15,16)9-8(3)12-10(14)17-9/h7H,4,6H2,1-3H3,(H,12,14)
InChIKeyPQWOEPPAYLUVPP-UHFFFAOYSA-N
XLogP0.92
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-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-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 54883852) is N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCN(CC(C)C#N)S(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is PQWOEPPAYLUVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-4-13(6-7(2)5-11)18(15,16)9-8(3)12-10(14)17-9/h7H,4,6H2,1-3H3,(H,12,14).
What are the key properties of N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 289.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54883852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).