1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C21H28N4O2S — CID 163368454

IUPAC1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)s1
InChIInChI=1S/C21H28N4O2S/c1-14(2)16-4-6-18(7-5-16)24-20(27)17-8-10-25(11-9-17)13-19-12-22-21(28-19)23-15(3)26/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,24,27)(H,22,23,26)
InChIKeyOTANRCRTDODBTO-UHFFFAOYSA-N
MW400.55 g/mol
LogP4.08
Rot. Bonds6

About 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 163368454) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID163368454
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)s1
InChIInChI=1S/C21H28N4O2S/c1-14(2)16-4-6-18(7-5-16)24-20(27)17-8-10-25(11-9-17)13-19-12-22-21(28-19)23-15(3)26/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,24,27)(H,22,23,26)
InChIKeyOTANRCRTDODBTO-UHFFFAOYSA-N
XLogP4.08
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-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

Pha-690509
CID 9902100
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
2-(pyridin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911293
1-Methyl-N-(5-phenylthiazol-2-yl)piperidine-4-carboxamide
CID 131953480
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 972499
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 71600846
N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-o-tolyl-succinamide
CID 3205284
4-(3-methylbutyrylamino)-N-thiazol-2-ylbenzamide
CID 3463042
2-(4-acetamidophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 9923630
4-(3,3-dimethylbutyrylamino)-N-(5-methylthiazol-2-yl)benzamide
CID 11313542
2-[(Cyclopropylcarbonyl)amino]-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
CID 21911286

Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 163368454) is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)s1.
What is the InChIKey of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is OTANRCRTDODBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-14(2)16-4-6-18(7-5-16)24-20(27)17-8-10-25(11-9-17)13-19-12-22-21(28-19)23-15(3)26/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,24,27)(H,22,23,26).
What are the key properties of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 163368454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).