(2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide

C25H34N4O3S — CID 95084270

IUPAC(2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C25H34N4O3S/c1-18(23(30)26-10-13-28-14-16-32-17-15-28)20-8-11-29(12-9-20)25(31)22-19(2)27-24(33-22)21-6-4-3-5-7-21/h3-7,18,20H,8-17H2,1-2H3,(H,26,30)/t18-/m0/s1
InChIKeyOKWXLGAWLGLSFG-SFHVURJKSA-N
MW470.64 g/mol
LogP3.06
Rot. Bonds7

About (2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide

(2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 95084270) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is (2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID95084270
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC Name(2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C25H34N4O3S/c1-18(23(30)26-10-13-28-14-16-32-17-15-28)20-8-11-29(12-9-20)25(31)22-19(2)27-24(33-22)21-6-4-3-5-7-21/h3-7,18,20H,8-17H2,1-2H3,(H,26,30)/t18-/m0/s1
InChIKeyOKWXLGAWLGLSFG-SFHVURJKSA-N
XLogP3.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 53103665
(2S)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084149
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084428
(2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 95084230
(2S)-N-benzyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95084067
N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 53103661
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53103646
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95084446
N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 53103611
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53103700
(2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 95113552
(2S)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[2-(furan-2-yl)ethyl]propanamide
CID 95084468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 95084270) is (2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide is Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of (2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is OKWXLGAWLGLSFG-SFHVURJKSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-18(23(30)26-10-13-28-14-16-32-17-15-28)20-8-11-29(12-9-20)25(31)22-19(2)27-24(33-22)21-6-4-3-5-7-21/h3-7,18,20H,8-17H2,1-2H3,(H,26,30)/t18-/m0/s1.
What are the key properties of (2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
(2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 470.64 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 95084270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).