(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

C17H24N6OS — CID 95154853

IUPAC(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)N1CCCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C17H24N6OS/c24-17(23-11-5-4-8-13(23)14-18-9-10-19-14)20-16-22-21-15(25-16)12-6-2-1-3-7-12/h9-10,12-13H,1-8,11H2,(H,18,19)(H,20,22,24)/t13-/m0/s1
InChIKeyQDDLCHMFNIBFAA-ZDUSSCGKSA-N
MW360.49 g/mol
LogP4.07
Rot. Bonds3

About (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 95154853) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID95154853
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)N1CCCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C17H24N6OS/c24-17(23-11-5-4-8-13(23)14-18-9-10-19-14)20-16-22-21-15(25-16)12-6-2-1-3-7-12/h9-10,12-13H,1-8,11H2,(H,18,19)(H,20,22,24)/t13-/m0/s1
InChIKeyQDDLCHMFNIBFAA-ZDUSSCGKSA-N
XLogP4.07
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 95154853) is (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is O=C(Nc1nnc(C2CCCCC2)s1)N1CCCC[C@H]1c1ncc[nH]1.
What is the InChIKey of (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is QDDLCHMFNIBFAA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6OS/c24-17(23-11-5-4-8-13(23)14-18-9-10-19-14)20-16-22-21-15(25-16)12-6-2-1-3-7-12/h9-10,12-13H,1-8,11H2,(H,18,19)(H,20,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95154853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).