(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

C14H23N3OS2 — CID 125143068

IUPAC(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)SCCNC(=O)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C14H23N3OS2/c1-11(2)19-9-7-16-14(18)17-8-4-3-5-12(17)13-15-6-10-20-13/h6,10-12H,3-5,7-9H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyLCFYIRYRSMWHGO-GFCCVEGCSA-N
MW313.49 g/mol
LogP3.52
Rot. Bonds5

About (2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 125143068) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is (2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID125143068
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)SCCNC(=O)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C14H23N3OS2/c1-11(2)19-9-7-16-14(18)17-8-4-3-5-12(17)13-15-6-10-20-13/h6,10-12H,3-5,7-9H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyLCFYIRYRSMWHGO-GFCCVEGCSA-N
XLogP3.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 121495520
2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 127610500
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124608851
N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95770213
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818
(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818290
(2R)-2-prop-2-enoxy-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761185
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
(2S)-N-(6-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97434584

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 125143068) is (2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is CC(C)SCCNC(=O)N1CCCC[C@@H]1c1nccs1.
What is the InChIKey of (2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is LCFYIRYRSMWHGO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-11(2)19-9-7-16-14(18)17-8-4-3-5-12(17)13-15-6-10-20-13/h6,10-12H,3-5,7-9H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 313.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 125143068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).