2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C12H17ClN4O2S2 — CID 61042306

IUPAC2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C12H17ClN4O2S2/c1-6(2)17-9(5)10(7(3)15-17)16-21(18,19)11-8(4)14-12(13)20-11/h6,16H,1-5H3
InChIKeyPHZXPBOHHYPYOB-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.30
Rot. Bonds4

About 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61042306) has the molecular formula C12H17ClN4O2S2 and a molecular weight of 348.88 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61042306
Molecular FormulaC12H17ClN4O2S2
Molecular Weight348.88 g/mol
Exact Mass348.05
IUPAC Name2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C12H17ClN4O2S2/c1-6(2)17-9(5)10(7(3)15-17)16-21(18,19)11-8(4)14-12(13)20-11/h6,16H,1-5H3
InChIKeyPHZXPBOHHYPYOB-UHFFFAOYSA-N
XLogP3.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-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-chloro-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazole-4-sulfonamide
CID 96385507
N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 71864008
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204562
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43547702
1,3,5-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
CID 43768913
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768916
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 53556566
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 53591025
3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 54866531
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 55733412
3,5-dimethyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide
CID 56287718
3,5-dimethyl-N,N-dipropyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 56362322

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 61042306) is 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1c(C)nn(C(C)C)c1C.
What is the InChIKey of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is PHZXPBOHHYPYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2S2/c1-6(2)17-9(5)10(7(3)15-17)16-21(18,19)11-8(4)14-12(13)20-11/h6,16H,1-5H3.
What are the key properties of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 348.88 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61042306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).