2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide

C17H18N4OS2 — CID 50958104

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCCSc1nc(CC(=O)NCc2cc(-c3ccccc3)n[nH]2)cs1
InChIInChI=1S/C17H18N4OS2/c1-2-23-17-19-14(11-24-17)9-16(22)18-10-13-8-15(21-20-13)12-6-4-3-5-7-12/h3-8,11H,2,9-10H2,1H3,(H,18,22)(H,20,21)
InChIKeyQGIWKYYLPJXGQJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.50
Rot. Bonds7

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 50958104) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID50958104
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCCSc1nc(CC(=O)NCc2cc(-c3ccccc3)n[nH]2)cs1
InChIInChI=1S/C17H18N4OS2/c1-2-23-17-19-14(11-24-17)9-16(22)18-10-13-8-15(21-20-13)12-6-4-3-5-7-12/h3-8,11H,2,9-10H2,1H3,(H,18,22)(H,20,21)
InChIKeyQGIWKYYLPJXGQJ-UHFFFAOYSA-N
XLogP3.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide 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 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide (CID 50958104) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide is CCSc1nc(CC(=O)NCc2cc(-c3ccccc3)n[nH]2)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is QGIWKYYLPJXGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-2-23-17-19-14(11-24-17)9-16(22)18-10-13-8-15(21-20-13)12-6-4-3-5-7-12/h3-8,11H,2,9-10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 50958104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).