2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide

C10H16N4OS2 — CID 886847

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
SMILESNc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C10H16N4OS2/c11-9-13-14-10(17-9)16-6-8(15)12-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,13)(H,12,15)
InChIKeyPMGABMZHRIXEGY-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.66
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide (PubChem CID 886847) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
PubChem CID886847
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide
SMILESNc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C10H16N4OS2/c11-9-13-14-10(17-9)16-6-8(15)12-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,13)(H,12,15)
InChIKeyPMGABMZHRIXEGY-UHFFFAOYSA-N
XLogP1.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-Cyclohexyl-3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 896958
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 673899
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-cyclohexyl-N-methylacetamide
CID 4809512
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 16265484
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 2998890
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 969571
N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2661379
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 3394106
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide
CID 18073825
N-(5-Cyclohexylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,2-dimethyl-propionamide
CID 1470450
N-(5-((2-(cyclohexylamino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)pentanamide
CID 24892681
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-methylcyclohexyl)acetamide
CID 2953194

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide (CID 886847) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide is Nc1nnc(SCC(=O)NC2CCCCC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide?
The InChIKey is PMGABMZHRIXEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c11-9-13-14-10(17-9)16-6-8(15)12-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,13)(H,12,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide has a molecular weight of 272.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 886847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).