N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide

C16H24N4O2S — CID 45231821

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
SMILESNc1nc(CCNC(=O)C2CCC(=O)N(C3CCCC3)C2)cs1
InChIInChI=1S/C16H24N4O2S/c17-16-19-12(10-23-16)7-8-18-15(22)11-5-6-14(21)20(9-11)13-3-1-2-4-13/h10-11,13H,1-9H2,(H2,17,19)(H,18,22)
InChIKeyZYOZFXMDJAHWFZ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.57
Rot. Bonds5

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide (PubChem CID 45231821) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
PubChem CID45231821
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
SMILESNc1nc(CCNC(=O)C2CCC(=O)N(C3CCCC3)C2)cs1
InChIInChI=1S/C16H24N4O2S/c17-16-19-12(10-23-16)7-8-18-15(22)11-5-6-14(21)20(9-11)13-3-1-2-4-13/h10-11,13H,1-9H2,(H2,17,19)(H,18,22)
InChIKeyZYOZFXMDJAHWFZ-UHFFFAOYSA-N
XLogP1.57
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-cyclopentyl-5-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 97119490
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 42245576
1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 45238528
(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
(3R)-N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97080842
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
(3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97208382
1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 72877964
1-cyclopropyl-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70723259
1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
CID 45195665
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154565961

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide (CID 45231821) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide is Nc1nc(CCNC(=O)C2CCC(=O)N(C3CCCC3)C2)cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide?
The InChIKey is ZYOZFXMDJAHWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c17-16-19-12(10-23-16)7-8-18-15(22)11-5-6-14(21)20(9-11)13-3-1-2-4-13/h10-11,13H,1-9H2,(H2,17,19)(H,18,22).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45231821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).