(3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide

C22H28N4O4S — CID 93306736

IUPAC(3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1Nc1nc(C(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cs1
InChIInChI=1S/C22H28N4O4S/c1-29-19-9-3-2-8-17(19)24-22-25-18(14-31-22)21(28)26-10-4-6-15(13-26)20(27)23-12-16-7-5-11-30-16/h2-3,8-9,14-16H,4-7,10-13H2,1H3,(H,23,27)(H,24,25)/t15-,16+/m1/s1
InChIKeyYFGIRFBZMJBWMA-CVEARBPZSA-N
MW444.56 g/mol
LogP3.04
Rot. Bonds7

About (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide

(3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 93306736) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
PubChem CID93306736
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name(3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1Nc1nc(C(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cs1
InChIInChI=1S/C22H28N4O4S/c1-29-19-9-3-2-8-17(19)24-22-25-18(14-31-22)21(28)26-10-4-6-15(13-26)20(27)23-12-16-7-5-11-30-16/h2-3,8-9,14-16H,4-7,10-13H2,1H3,(H,23,27)(H,24,25)/t15-,16+/m1/s1
InChIKeyYFGIRFBZMJBWMA-CVEARBPZSA-N
XLogP3.04
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-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

(3S)-1-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 93305267
2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide
CID 93306448
(3R)-1-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]-N-propylpiperidine-3-carboxamide
CID 93305434
(2R)-1-[2-(2,3-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 93306573
2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 42814325
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 42813188
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42813146
(3R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 93306855
(3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 93305453
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide (CID 93306736) is (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide is COc1ccccc1Nc1nc(C(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cs1.
What is the InChIKey of (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is YFGIRFBZMJBWMA-CVEARBPZSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-29-19-9-3-2-8-17(19)24-22-25-18(14-31-22)21(28)26-10-4-6-15(13-26)20(27)23-12-16-7-5-11-30-16/h2-3,8-9,14-16H,4-7,10-13H2,1H3,(H,23,27)(H,24,25)/t15-,16+/m1/s1.
What are the key properties of (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
(3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 93306736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).