2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide

C16H18N2O2S — CID 167856524

IUPAC2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ncc(C(=O)NCCc2cc(C)cc(C)c2)s1
InChIInChI=1S/C16H18N2O2S/c1-10-6-11(2)8-13(7-10)4-5-17-15(20)14-9-18-16(21-14)12(3)19/h6-9H,4-5H2,1-3H3,(H,17,20)
InChIKeyWMEOLDZLQNXTQG-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.94
Rot. Bonds5

About 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide

2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 167856524) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID167856524
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ncc(C(=O)NCCc2cc(C)cc(C)c2)s1
InChIInChI=1S/C16H18N2O2S/c1-10-6-11(2)8-13(7-10)4-5-17-15(20)14-9-18-16(21-14)12(3)19/h6-9H,4-5H2,1-3H3,(H,17,20)
InChIKeyWMEOLDZLQNXTQG-UHFFFAOYSA-N
XLogP2.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide 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

2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278
2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 122562540
2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 122561636
1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111453218
N-[2-[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 111649500
2-amino-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21137618
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619618
2-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 114031328
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 82171902
N-[2-[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111649123
2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120529025

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 167856524) is 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide is CC(=O)c1ncc(C(=O)NCCc2cc(C)cc(C)c2)s1.
What is the InChIKey of 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WMEOLDZLQNXTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10-6-11(2)8-13(7-10)4-5-17-15(20)14-9-18-16(21-14)12(3)19/h6-9H,4-5H2,1-3H3,(H,17,20).
What are the key properties of 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[2-(3,5-dimethylphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167856524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).