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

C12H20N4OS2 — CID 2998890

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSc2nnc(N)s2)C1C
InChIInChI=1S/C12H20N4OS2/c1-7-4-3-5-9(8(7)2)14-10(17)6-18-12-16-15-11(13)19-12/h7-9H,3-6H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyBDHKICHWIZQXSL-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.15
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 2998890) 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-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID2998890
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSc2nnc(N)s2)C1C
InChIInChI=1S/C12H20N4OS2/c1-7-4-3-5-9(8(7)2)14-10(17)6-18-12-16-15-11(13)19-12/h7-9H,3-6H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyBDHKICHWIZQXSL-UHFFFAOYSA-N
XLogP2.15
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.15
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-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide (CID 2998890) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)CSc2nnc(N)s2)C1C.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is BDHKICHWIZQXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-7-4-3-5-9(8(7)2)14-10(17)6-18-12-16-15-11(13)19-12/h7-9H,3-6H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 300.45 g/mol, XLogP of 2.15, 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-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 2998890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).