(2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide

C24H27N3O3S — CID 95084230

IUPAC(2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccco2)CC1
InChIInChI=1S/C24H27N3O3S/c1-16(22(28)25-15-20-9-6-14-30-20)18-10-12-27(13-11-18)24(29)21-17(2)26-23(31-21)19-7-4-3-5-8-19/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,25,28)/t16-/m1/s1
InChIKeyZEERGMDPLYFERY-MRXNPFEDSA-N
MW437.57 g/mol
LogP4.52
Rot. Bonds6

About (2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide

(2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 95084230) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID95084230
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccco2)CC1
InChIInChI=1S/C24H27N3O3S/c1-16(22(28)25-15-20-9-6-14-30-20)18-10-12-27(13-11-18)24(29)21-17(2)26-23(31-21)19-7-4-3-5-8-19/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,25,28)/t16-/m1/s1
InChIKeyZEERGMDPLYFERY-MRXNPFEDSA-N
XLogP4.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
(2S)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084270
(2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 95113552
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 53103665
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 95084389
N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 53103611
(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-thiophen-2-ylethyl)propanamide
CID 95084460
(2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95056455
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084428

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide (CID 95084230) is (2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide is Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCc2ccco2)CC1.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is ZEERGMDPLYFERY-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16(22(28)25-15-20-9-6-14-30-20)18-10-12-27(13-11-18)24(29)21-17(2)26-23(31-21)19-7-4-3-5-8-19/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,25,28)/t16-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?
(2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 437.57 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 95084230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).