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

C17H18N4O2S — CID 99831736

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)Nc1cccc(OCc2cscn2)c1
InChIInChI=1S/C17H18N4O2S/c1-11-16(12(2)21-20-11)7-17(22)19-13-4-3-5-15(6-13)23-8-14-9-24-10-18-14/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLJDCSEVXOJMWQD-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.24
Rot. Bonds6

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide (PubChem CID 99831736) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide
PubChem CID99831736
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)Nc1cccc(OCc2cscn2)c1
InChIInChI=1S/C17H18N4O2S/c1-11-16(12(2)21-20-11)7-17(22)19-13-4-3-5-15(6-13)23-8-14-9-24-10-18-14/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLJDCSEVXOJMWQD-UHFFFAOYSA-N
XLogP3.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide 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-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 166193918
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide
CID 56567860
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872092
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 55259828
N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86866369
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 56567793
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-methylbenzoic acid
CID 63654718

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide (CID 99831736) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide is Cc1n[nH]c(C)c1CC(=O)Nc1cccc(OCc2cscn2)c1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide?
The InChIKey is LJDCSEVXOJMWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-16(12(2)21-20-11)7-17(22)19-13-4-3-5-15(6-13)23-8-14-9-24-10-18-14/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 99831736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).