2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

C25H27N3O2S — CID 87544471

IUPAC2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C25H27N3O2S/c1-15-21(23(30)27-20-14-11-16-7-5-6-8-19(16)20)31-24(26-15)28-22(29)17-9-12-18(13-10-17)25(2,3)4/h5-10,12-13,20H,11,14H2,1-4H3,(H,27,30)(H,26,28,29)
InChIKeySLKNRGJJMDDOGS-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.42
Rot. Bonds4

About 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 87544471) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID87544471
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C25H27N3O2S/c1-15-21(23(30)27-20-14-11-16-7-5-6-8-19(16)20)31-24(26-15)28-22(29)17-9-12-18(13-10-17)25(2,3)4/h5-10,12-13,20H,11,14H2,1-4H3,(H,27,30)(H,26,28,29)
InChIKeySLKNRGJJMDDOGS-UHFFFAOYSA-N
XLogP5.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 87544471) is 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)NC1CCc2ccccc21.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SLKNRGJJMDDOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-15-21(23(30)27-20-14-11-16-7-5-6-8-19(16)20)31-24(26-15)28-22(29)17-9-12-18(13-10-17)25(2,3)4/h5-10,12-13,20H,11,14H2,1-4H3,(H,27,30)(H,26,28,29).
What are the key properties of 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87544471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).