(2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide

C25H33N3O2S — CID 95056455

IUPAC(2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC([C@H](C)C(=O)NC4CCCC4)CC3)s2)cc1
InChIInChI=1S/C25H33N3O2S/c1-16-8-10-20(11-9-16)24-26-18(3)22(31-24)25(30)28-14-12-19(13-15-28)17(2)23(29)27-21-6-4-5-7-21/h8-11,17,19,21H,4-7,12-15H2,1-3H3,(H,27,29)/t17-/m0/s1
InChIKeyIHBLHALPECSXEN-KRWDZBQOSA-N
MW439.63 g/mol
LogP4.97
Rot. Bonds5

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

(2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide (PubChem CID 95056455) has the molecular formula C25H33N3O2S and a molecular weight of 439.63 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
PubChem CID95056455
Molecular FormulaC25H33N3O2S
Molecular Weight439.63 g/mol
Exact Mass439.23
IUPAC Name(2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC([C@H](C)C(=O)NC4CCCC4)CC3)s2)cc1
InChIInChI=1S/C25H33N3O2S/c1-16-8-10-20(11-9-16)24-26-18(3)22(31-24)25(30)28-14-12-19(13-15-28)17(2)23(29)27-21-6-4-5-7-21/h8-11,17,19,21H,4-7,12-15H2,1-3H3,(H,27,29)/t17-/m0/s1
InChIKeyIHBLHALPECSXEN-KRWDZBQOSA-N
XLogP4.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95084158
N-[2-(dimethylamino)ethyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 53103611
(2S)-N-benzyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95084067
(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-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 95084149
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53031125
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 93061147
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95084446
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
(2R)-N-(furan-2-ylmethyl)-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 95084230
N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 53103661
(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 (2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide (CID 95056455) is (2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide is Cc1ccc(-c2nc(C)c(C(=O)N3CCC([C@H](C)C(=O)NC4CCCC4)CC3)s2)cc1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide?
The InChIKey is IHBLHALPECSXEN-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H33N3O2S/c1-16-8-10-20(11-9-16)24-26-18(3)22(31-24)25(30)28-14-12-19(13-15-28)17(2)23(29)27-21-6-4-5-7-21/h8-11,17,19,21H,4-7,12-15H2,1-3H3,(H,27,29)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide?
(2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 439.63 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 95056455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).