(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide

C14H20N6OS — CID 125162917

IUPAC(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nccn1CC[C@H]1CCCCN1C(=O)Nc1cnns1
InChIInChI=1S/C14H20N6OS/c1-11-15-6-9-19(11)8-5-12-4-2-3-7-20(12)14(21)17-13-10-16-18-22-13/h6,9-10,12H,2-5,7-8H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyPOMSDPAGHVQCBO-GFCCVEGCSA-N
MW320.42 g/mol
LogP2.52
Rot. Bonds4

About (2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide

(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 125162917) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is (2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID125162917
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nccn1CC[C@H]1CCCCN1C(=O)Nc1cnns1
InChIInChI=1S/C14H20N6OS/c1-11-15-6-9-19(11)8-5-12-4-2-3-7-20(12)14(21)17-13-10-16-18-22-13/h6,9-10,12H,2-5,7-8H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyPOMSDPAGHVQCBO-GFCCVEGCSA-N
XLogP2.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
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(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
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(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide
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3-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(2-methylphenyl)-3-oxopropanamide
CID 94612882
(2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
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[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
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3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 125174346
2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124842082
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118215
(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 70729454
[3-(difluoromethoxy)phenyl]-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide (CID 125162917) is (2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nccn1CC[C@H]1CCCCN1C(=O)Nc1cnns1.
What is the InChIKey of (2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is POMSDPAGHVQCBO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-11-15-6-9-19(11)8-5-12-4-2-3-7-20(12)14(21)17-13-10-16-18-22-13/h6,9-10,12H,2-5,7-8H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide?
(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 125162917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).