2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide

C15H24N4OS — CID 126787490

IUPAC2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnns1)N1CCCC1CCC1CCCCC1
InChIInChI=1S/C15H24N4OS/c20-15(17-14-11-16-18-21-14)19-10-4-7-13(19)9-8-12-5-2-1-3-6-12/h11-13H,1-10H2,(H,17,20)
InChIKeyHVAKEFKBEDYKNX-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide

2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 126787490) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID126787490
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnns1)N1CCCC1CCC1CCCCC1
InChIInChI=1S/C15H24N4OS/c20-15(17-14-11-16-18-21-14)19-10-4-7-13(19)9-8-12-5-2-1-3-6-12/h11-13H,1-10H2,(H,17,20)
InChIKeyHVAKEFKBEDYKNX-UHFFFAOYSA-N
XLogP3.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 154735256
(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 125162917
(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99836083
[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 81485187
2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 48953190
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
(E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide
CID 131234805
(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 94744585
N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 62479972
5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63157945
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 107585962

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide (CID 126787490) is 2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide is O=C(Nc1cnns1)N1CCCC1CCC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is HVAKEFKBEDYKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c20-15(17-14-11-16-18-21-14)19-10-4-7-13(19)9-8-12-5-2-1-3-6-12/h11-13H,1-10H2,(H,17,20).
What are the key properties of 2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126787490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).