3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide

C14H22N4OS — CID 46983591

IUPAC3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(C3CCCCC3)C2)n1
InChIInChI=1S/C14H22N4OS/c1-10-15-13(20-17-10)16-14(19)18-8-7-12(9-18)11-5-3-2-4-6-11/h11-12H,2-9H2,1H3,(H,15,16,17,19)
InChIKeyHDQWFYNZVAOABD-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.28
Rot. Bonds2

About 3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide

3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 46983591) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID46983591
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(C3CCCCC3)C2)n1
InChIInChI=1S/C14H22N4OS/c1-10-15-13(20-17-10)16-14(19)18-8-7-12(9-18)11-5-3-2-4-6-11/h11-12H,2-9H2,1H3,(H,15,16,17,19)
InChIKeyHDQWFYNZVAOABD-UHFFFAOYSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4aS*,8aR*)-N-(3-methyl-1,2,4-thiadiazol-5-yl)octahydroisoquinoline-2(1H)-carboxamide
CID 46985045
N-(2-cycloheptylethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46987274
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 117669725
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 123777157
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 123780091
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127452854
(3aR,6aS)-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 135191113
(3aS,6aR)-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 135191179
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 155123133
N-[3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 155123241
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 166943303
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 166943313

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide (CID 46983591) is 3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(C3CCCCC3)C2)n1.
What is the InChIKey of 3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is HDQWFYNZVAOABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10-15-13(20-17-10)16-14(19)18-8-7-12(9-18)11-5-3-2-4-6-11/h11-12H,2-9H2,1H3,(H,15,16,17,19).
What are the key properties of 3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 46983591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).