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

C12H20N4OS2 — CID 2426479

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1nnc(N)s1)C1CCCCC1
InChIInChI=1S/C12H20N4OS2/c1-2-16(9-6-4-3-5-7-9)10(17)8-18-12-15-14-11(13)19-12/h9H,2-8H2,1H3,(H2,13,14)
InChIKeySRGIVMJUARSMDQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.39
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide (PubChem CID 2426479) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
PubChem CID2426479
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1nnc(N)s1)C1CCCCC1
InChIInChI=1S/C12H20N4OS2/c1-2-16(9-6-4-3-5-7-9)10(17)8-18-12-15-14-11(13)19-12/h9H,2-8H2,1H3,(H2,13,14)
InChIKeySRGIVMJUARSMDQ-UHFFFAOYSA-N
XLogP2.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.39
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)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-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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide (CID 2426479) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide is CCN(C(=O)CSc1nnc(N)s1)C1CCCCC1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
The InChIKey is SRGIVMJUARSMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-2-16(9-6-4-3-5-7-9)10(17)8-18-12-15-14-11(13)19-12/h9H,2-8H2,1H3,(H2,13,14).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide has a molecular weight of 300.45 g/mol, XLogP of 2.39, 5 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-ethylacetamide is sourced from PubChem (CID 2426479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).