N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide

C19H21N3OS — CID 8962875

IUPACN-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3cc(C)n(C)c3C)cs2)cc1
InChIInChI=1S/C19H21N3OS/c1-12-5-7-15(8-6-12)20-18(23)10-19-21-17(11-24-19)16-9-13(2)22(4)14(16)3/h5-9,11H,10H2,1-4H3,(H,20,23)
InChIKeyRJYJYNVSMBXUNH-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.26
Rot. Bonds4

About N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide

N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 8962875) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID8962875
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3cc(C)n(C)c3C)cs2)cc1
InChIInChI=1S/C19H21N3OS/c1-12-5-7-15(8-6-12)20-18(23)10-19-21-17(11-24-19)16-9-13(2)22(4)14(16)3/h5-9,11H,10H2,1-4H3,(H,20,23)
InChIKeyRJYJYNVSMBXUNH-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]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

methyl 4-[2,5-dimethyl-3-[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]pyrrol-1-yl]butanoate
CID 154774198
2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2475630
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 8750257
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608
2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 18287994
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 60529050
2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962858
N-(2,4-dimethylphenyl)-2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9399915
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide (CID 8962875) is N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(C)c3C)cs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RJYJYNVSMBXUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-12-5-7-15(8-6-12)20-18(23)10-19-21-17(11-24-19)16-9-13(2)22(4)14(16)3/h5-9,11H,10H2,1-4H3,(H,20,23).
What are the key properties of N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide?
N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8962875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).