N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide

C16H18N4O2S2 — CID 58621208

IUPACN-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCc1nn(-c2sc(C)nc2NS(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C16H18N4O2S2/c1-4-14-11(2)10-20(18-14)16-15(17-12(3)23-16)19-24(21,22)13-8-6-5-7-9-13/h5-10,19H,4H2,1-3H3
InChIKeyHMTOWSVSKYMOTP-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.31
Rot. Bonds5

About N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide

N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 58621208) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID58621208
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCc1nn(-c2sc(C)nc2NS(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C16H18N4O2S2/c1-4-14-11(2)10-20(18-14)16-15(17-12(3)23-16)19-24(21,22)13-8-6-5-7-9-13/h5-10,19H,4H2,1-3H3
InChIKeyHMTOWSVSKYMOTP-UHFFFAOYSA-N
XLogP3.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide 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

4-chloro-N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 11280004
N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 163248619
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 61477562
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide
CID 140579946
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 90626836
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 66905609
N-(2-ethylpyrazol-3-yl)benzenesulfonamide
CID 3280271
3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106019052
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide (CID 58621208) is N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide is CCc1nn(-c2sc(C)nc2NS(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is HMTOWSVSKYMOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-4-14-11(2)10-20(18-14)16-15(17-12(3)23-16)19-24(21,22)13-8-6-5-7-9-13/h5-10,19H,4H2,1-3H3.
What are the key properties of N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethyl-4-methylpyrazol-1-yl)-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 58621208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).