4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide

C23H30N4O2S — CID 59001405

IUPAC4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide
SMILESCCCCCNC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)sc12
InChIInChI=1S/C23H30N4O2S/c1-6-7-8-13-24-21(29)17-14-27(23(3,4)5)19-18(17)30-22(25-19)26-20(28)16-11-9-15(2)10-12-16/h9-12,14H,6-8,13H2,1-5H3,(H,24,29)(H,25,26,28)
InChIKeyAYCMONUYZJPVQB-UHFFFAOYSA-N
MW426.59 g/mol
LogP5.33
Rot. Bonds7

About 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide

4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide (PubChem CID 59001405) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide
PubChem CID59001405
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide
SMILESCCCCCNC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)sc12
InChIInChI=1S/C23H30N4O2S/c1-6-7-8-13-24-21(29)17-14-27(23(3,4)5)19-18(17)30-22(25-19)26-20(28)16-11-9-15(2)10-12-16/h9-12,14H,6-8,13H2,1-5H3,(H,24,29)(H,25,26,28)
InChIKeyAYCMONUYZJPVQB-UHFFFAOYSA-N
XLogP5.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-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

7-tert-butyl-N-(2-ethoxyethyl)-2-[(4-methylbenzoyl)amino]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 68801106
1-tert-butyl-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001206
1-tert-butyl-N-[(2R)-2-hydroxypropyl]-5-[(4-methylbenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001541
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide
CID 159360162
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide
CID 141482420
N-butyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945709
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-pentyl-4-(propylamino)benzamide
CID 62185567
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
CID 131885807
CID 131885807

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide?
The IUPAC name of 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide (CID 59001405) is 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide?
The canonical SMILES for 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide is CCCCCNC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)sc12.
What is the InChIKey of 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide?
The InChIKey is AYCMONUYZJPVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-6-7-8-13-24-21(29)17-14-27(23(3,4)5)19-18(17)30-22(25-19)26-20(28)16-11-9-15(2)10-12-16/h9-12,14H,6-8,13H2,1-5H3,(H,24,29)(H,25,26,28).
What are the key properties of 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide?
4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide has a molecular weight of 426.59 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 59001405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).