1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C25H29N3O3S2 — CID 60600061

IUPAC1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)NCCc4cccs4)CC3)s2)cc1
InChIInChI=1S/C25H29N3O3S2/c1-3-31-20-8-6-19(7-9-20)24-27-17(2)22(33-24)25(30)28-14-11-18(12-15-28)23(29)26-13-10-21-5-4-16-32-21/h4-9,16,18H,3,10-15H2,1-2H3,(H,26,29)
InChIKeyCAOIPGKJANISTH-UHFFFAOYSA-N
MW483.66 g/mol
LogP4.79
Rot. Bonds8

About 1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 60600061) has the molecular formula C25H29N3O3S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID60600061
Molecular FormulaC25H29N3O3S2
Molecular Weight483.66 g/mol
Exact Mass483.17
IUPAC Name1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)NCCc4cccs4)CC3)s2)cc1
InChIInChI=1S/C25H29N3O3S2/c1-3-31-20-8-6-19(7-9-20)24-27-17(2)22(33-24)25(30)28-14-11-18(12-15-28)23(29)26-13-10-21-5-4-16-32-21/h4-9,16,18H,3,10-15H2,1-2H3,(H,26,29)
InChIKeyCAOIPGKJANISTH-UHFFFAOYSA-N
XLogP4.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 95084460
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110888004
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487802
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 78860001
1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 119167261
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 120817234
[4-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 52577841
1-[4-acetamido-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 50838687
2-(4-chlorophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112804170
[4-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 46546164
ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 39080805
2-(4-ethoxyphenyl)-4-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55723032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 60600061) is 1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is CCOc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)NCCc4cccs4)CC3)s2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is CAOIPGKJANISTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S2/c1-3-31-20-8-6-19(7-9-20)24-27-17(2)22(33-24)25(30)28-14-11-18(12-15-28)23(29)26-13-10-21-5-4-16-32-21/h4-9,16,18H,3,10-15H2,1-2H3,(H,26,29).
What are the key properties of 1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 483.66 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60600061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).