N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C20H22N4O2S — CID 51054339

IUPACN-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H22N4O2S/c1-3-4-7-17-18(27-20(23-17)24-12-5-6-13-24)19(26)22-16-10-8-15(9-11-16)21-14(2)25/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyAQAJGPRCZYPNLM-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.49
Rot. Bonds7

About N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 51054339) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID51054339
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H22N4O2S/c1-3-4-7-17-18(27-20(23-17)24-12-5-6-13-24)19(26)22-16-10-8-15(9-11-16)21-14(2)25/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyAQAJGPRCZYPNLM-UHFFFAOYSA-N
XLogP4.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-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

N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134309
4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134299
4-butyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 51054054
N-(4-ethoxyphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134325
N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611564
4-butyl-N-(2-hydroxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 71700870
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704
4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide
CID 92707101
4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 20930812
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 28934755
N-(4-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 4083903
4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 90564904

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 51054339) is N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is AQAJGPRCZYPNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-4-7-17-18(27-20(23-17)24-12-5-6-13-24)19(26)22-16-10-8-15(9-11-16)21-14(2)25/h5-6,8-13H,3-4,7H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51054339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).