N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H16N4O3S2 — CID 104619460

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H16N4O3S2/c1-6-9(19-10(16)12-6)20(17,18)15-8-5-7(13-14-8)11(2,3)4/h5H,1-4H3,(H,12,16)(H2,13,14,15)
InChIKeyXOQNJMVRTGVRKN-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.57
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 104619460) has the molecular formula C11H16N4O3S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID104619460
Molecular FormulaC11H16N4O3S2
Molecular Weight316.41 g/mol
Exact Mass316.07
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H16N4O3S2/c1-6-9(19-10(16)12-6)20(17,18)15-8-5-7(13-14-8)11(2,3)4/h5H,1-4H3,(H,12,16)(H2,13,14,15)
InChIKeyXOQNJMVRTGVRKN-UHFFFAOYSA-N
XLogP1.57
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)-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

Related Compounds

5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712816
N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 65480687
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723564
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
N-(3,5-difluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712773
5-tert-butyl-3-(diethylsulfamoylamino)-1H-pyrazole
CID 113258114
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 104619460) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is XOQNJMVRTGVRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S2/c1-6-9(19-10(16)12-6)20(17,18)15-8-5-7(13-14-8)11(2,3)4/h5H,1-4H3,(H,12,16)(H2,13,14,15).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 316.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 104619460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).