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

C11H18N4OS2 — CID 2953194

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H18N4OS2/c1-7-4-2-3-5-8(7)13-9(16)6-17-11-15-14-10(12)18-11/h7-8H,2-6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyDJDQUXBMYIVMOM-UHFFFAOYSA-N
MW286.43 g/mol
LogP1.91
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 2953194) 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-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
PubChem CID2953194
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H18N4OS2/c1-7-4-2-3-5-8(7)13-9(16)6-17-11-15-14-10(12)18-11/h7-8H,2-6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyDJDQUXBMYIVMOM-UHFFFAOYSA-N
XLogP1.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide (CID 2953194) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is DJDQUXBMYIVMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-7-4-2-3-5-8(7)13-9(16)6-17-11-15-14-10(12)18-11/h7-8H,2-6H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 286.43 g/mol, XLogP of 1.91, 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-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 2953194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).