N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide

C14H23N3OS — CID 52896832

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
SMILESCCCCc1nnc(NC(=O)CC2CCCCC2)s1
InChIInChI=1S/C14H23N3OS/c1-2-3-9-13-16-17-14(19-13)15-12(18)10-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,15,17,18)
InChIKeyDPAJSMLUKFLROS-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.79
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide (PubChem CID 52896832) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
PubChem CID52896832
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
SMILESCCCCc1nnc(NC(=O)CC2CCCCC2)s1
InChIInChI=1S/C14H23N3OS/c1-2-3-9-13-16-17-14(19-13)15-12(18)10-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,15,17,18)
InChIKeyDPAJSMLUKFLROS-UHFFFAOYSA-N
XLogP3.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47120464
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8918822
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
2-cyclohexyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 860551
N-(5-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 119265189
N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 119265861
2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 111430455
3-(hydroxymethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890794
methyl 4-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butanoate
CID 119796351
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide (CID 52896832) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide is CCCCc1nnc(NC(=O)CC2CCCCC2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide?
The InChIKey is DPAJSMLUKFLROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-3-9-13-16-17-14(19-13)15-12(18)10-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,15,17,18).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide has a molecular weight of 281.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 52896832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).