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

C9H11F3N2O3S2 — CID 55009863

IUPACN-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H11F3N2O3S2/c1-5-7(18-8(15)13-5)19(16,17)14(6-2-3-6)4-9(10,11)12/h6H,2-4H2,1H3,(H,13,15)
InChIKeyXCYPTHAJYMKBQX-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.46
Rot. Bonds4

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

N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 55009863) has the molecular formula C9H11F3N2O3S2 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID55009863
Molecular FormulaC9H11F3N2O3S2
Molecular Weight316.33 g/mol
Exact Mass316.02
IUPAC NameN-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H11F3N2O3S2/c1-5-7(18-8(15)13-5)19(16,17)14(6-2-3-6)4-9(10,11)12/h6H,2-4H2,1H3,(H,13,15)
InChIKeyXCYPTHAJYMKBQX-UHFFFAOYSA-N
XLogP1.46
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-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-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (CID 55009863) is N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is XCYPTHAJYMKBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S2/c1-5-7(18-8(15)13-5)19(16,17)14(6-2-3-6)4-9(10,11)12/h6H,2-4H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 316.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 55009863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).