1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide

C14H22N4O2S2 — CID 71871320

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(Cc2sc(C)nc2C)c1C
InChIInChI=1S/C14H22N4O2S2/c1-7-17(6)22(19,20)14-10(3)16-18(11(14)4)8-13-9(2)15-12(5)21-13/h7-8H2,1-6H3
InChIKeyUJVUGFCXLPGMRW-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.26
Rot. Bonds5

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71871320) has the molecular formula C14H22N4O2S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71871320
Molecular FormulaC14H22N4O2S2
Molecular Weight342.49 g/mol
Exact Mass342.12
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(Cc2sc(C)nc2C)c1C
InChIInChI=1S/C14H22N4O2S2/c1-7-17(6)22(19,20)14-10(3)16-18(11(14)4)8-13-9(2)15-12(5)21-13/h7-8H2,1-6H3
InChIKeyUJVUGFCXLPGMRW-UHFFFAOYSA-N
XLogP2.26
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-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 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide (CID 71871320) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide is CCN(C)S(=O)(=O)c1c(C)nn(Cc2sc(C)nc2C)c1C.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is UJVUGFCXLPGMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S2/c1-7-17(6)22(19,20)14-10(3)16-18(11(14)4)8-13-9(2)15-12(5)21-13/h7-8H2,1-6H3.
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 342.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-ethyl-N,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71871320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).