N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

C16H26N4OS — CID 665281

IUPACN-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(CCN2CCCCC2)s1)C1CCCCC1
InChIInChI=1S/C16H26N4OS/c21-15(13-7-3-1-4-8-13)17-16-19-18-14(22-16)9-12-20-10-5-2-6-11-20/h13H,1-12H2,(H,17,19,21)
InChIKeyYAECGHJYCRULKM-UHFFFAOYSA-N
MW322.48 g/mol
LogP3.09
Rot. Bonds5

About N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 665281) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
PubChem CID665281
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(CCN2CCCCC2)s1)C1CCCCC1
InChIInChI=1S/C16H26N4OS/c21-15(13-7-3-1-4-8-13)17-16-19-18-14(22-16)9-12-20-10-5-2-6-11-20/h13H,1-12H2,(H,17,19,21)
InChIKeyYAECGHJYCRULKM-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide
CID 1399018
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 702129
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide]
CID 656355
N-[5-[2-(4-morpholinyl)ethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 665057
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 847063
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide
CID 1397851
3-cyclohexyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 889545
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 16322265
Butyramide, N-(5-cyclohexyl-[1,3,4]thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxo-
CID 4921589
3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 903243
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide
CID 4237818
3-cyclohexyl-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4313411

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (CID 665281) is N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nnc(CCN2CCCCC2)s1)C1CCCCC1.
What is the InChIKey of N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is YAECGHJYCRULKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c21-15(13-7-3-1-4-8-13)17-16-19-18-14(22-16)9-12-20-10-5-2-6-11-20/h13H,1-12H2,(H,17,19,21).
What are the key properties of N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 322.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 665281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).