ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate

C21H26N2O3S — CID 36710487

IUPACethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)CC1
InChIInChI=1S/C21H26N2O3S/c1-4-26-21(25)17-9-11-23(12-10-17)20(24)18-13-27-19(22-18)16-7-5-15(6-8-16)14(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyNECPWDPIXRBWOE-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.35
Rot. Bonds5

About ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate (PubChem CID 36710487) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
PubChem CID36710487
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Nameethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)CC1
InChIInChI=1S/C21H26N2O3S/c1-4-26-21(25)17-9-11-23(12-10-17)20(24)18-13-27-19(22-18)16-7-5-15(6-8-16)14(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyNECPWDPIXRBWOE-UHFFFAOYSA-N
XLogP4.35
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperidin-1-yl)-[1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 55950587
[4-(methylaminomethyl)piperidin-1-yl]-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119546701
(3-aminopyrrolidin-1-yl)-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone
CID 75513720
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167775
ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706
(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031
5-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117889
ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 36759343
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119518780

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate (CID 36710487) is ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)CC1.
What is the InChIKey of ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is NECPWDPIXRBWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-26-21(25)17-9-11-23(12-10-17)20(24)18-13-27-19(22-18)16-7-5-15(6-8-16)14(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 386.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 36710487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).