N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide

C12H19N3OS — CID 684814

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-2-6-10(16)13-12-15-14-11(17-12)9-7-4-3-5-8-9/h9H,2-8H2,1H3,(H,13,15,16)
InChIKeyFAHMOVPCRYLFQI-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.32
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 684814) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID684814
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C12H19N3OS/c1-2-6-10(16)13-12-15-14-11(17-12)9-7-4-3-5-8-9/h9H,2-8H2,1H3,(H,13,15,16)
InChIKeyFAHMOVPCRYLFQI-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 1402158
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide
CID 1400151
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 2932354
(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 769207
N-(4-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400083
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-propan-2-ylphenyl)butanediamide
CID 1409643
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807587
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065
N-(3-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1398596
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1180198

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide (CID 684814) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide is CCCC(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is FAHMOVPCRYLFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-6-10(16)13-12-15-14-11(17-12)9-7-4-3-5-8-9/h9H,2-8H2,1H3,(H,13,15,16).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 253.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 684814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).