(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide

C11H17N3OS — CID 103814463

IUPAC(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCCCN1)c1nccs1
InChIInChI=1S/C11H17N3OS/c1-8(11-13-6-7-16-11)14-10(15)9-4-2-3-5-12-9/h6-9,12H,2-5H2,1H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyXBNFNBZFBAEGNN-YGPZHTELSA-N
MW239.34 g/mol
LogP1.46
Rot. Bonds3

About (2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide

(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 103814463) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID103814463
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCCCN1)c1nccs1
InChIInChI=1S/C11H17N3OS/c1-8(11-13-6-7-16-11)14-10(15)9-4-2-3-5-12-9/h6-9,12H,2-5H2,1H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyXBNFNBZFBAEGNN-YGPZHTELSA-N
XLogP1.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-2-yl)ethyl]azepane-2-carboxamide
CID 64570760
N-[1-(1,3-thiazol-2-yl)ethyl]thiomorpholine-3-carboxamide
CID 82915947
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
2-[1-[[(2S)-piperidine-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 104914206
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103812633
(2R)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
CID 104914789
(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
CID 104914790
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
N-(1-thiophen-3-ylethyl)piperidine-2-carboxamide
CID 62842811
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide (CID 103814463) is (2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is CC(NC(=O)[C@H]1CCCCN1)c1nccs1.
What is the InChIKey of (2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is XBNFNBZFBAEGNN-YGPZHTELSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(11-13-6-7-16-11)14-10(15)9-4-2-3-5-12-9/h6-9,12H,2-5H2,1H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of (2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide?
(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 103814463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).