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

C11H18N4OS2 — CID 4809512

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1nnc(N)s1)C1CCCCC1
InChIInChI=1S/C11H18N4OS2/c1-15(8-5-3-2-4-6-8)9(16)7-17-11-14-13-10(12)18-11/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyBFBSDUYKNMYXJG-UHFFFAOYSA-N
MW286.43 g/mol
LogP2.00
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide (PubChem CID 4809512) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
PubChem CID4809512
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1nnc(N)s1)C1CCCCC1
InChIInChI=1S/C11H18N4OS2/c1-15(8-5-3-2-4-6-8)9(16)7-17-11-14-13-10(12)18-11/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyBFBSDUYKNMYXJG-UHFFFAOYSA-N
XLogP2.00
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
CID 2057116
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 673899
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-cycloheptylacetamide
CID 969571
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 972493
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]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4805006
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclooctylacetamide
CID 18073825
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-methylcyclohexyl)acetamide
CID 2953194
2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-cyclohexylacetamide
CID 834018
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-cyclohexylacetamide
CID 886847
N-cyclohexyl-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24980815

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide (CID 4809512) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)CSc1nnc(N)s1)C1CCCCC1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is BFBSDUYKNMYXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-15(8-5-3-2-4-6-8)9(16)7-17-11-14-13-10(12)18-11/h8H,2-7H2,1H3,(H2,12,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 286.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 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-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 4809512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).