N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C12H20N4OS — CID 2342823

IUPACN-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCN(C(=O)CSc1ncn[nH]1)C1CCCCC1
InChIInChI=1S/C12H20N4OS/c1-2-16(10-6-4-3-5-7-10)11(17)8-18-12-13-9-14-15-12/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyUFJGLCGBWHPGKD-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.08
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2342823) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2342823
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCN(C(=O)CSc1ncn[nH]1)C1CCCCC1
InChIInChI=1S/C12H20N4OS/c1-2-16(10-6-4-3-5-7-10)11(17)8-18-12-13-9-14-15-12/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyUFJGLCGBWHPGKD-UHFFFAOYSA-N
XLogP2.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2342823) is N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CCN(C(=O)CSc1ncn[nH]1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is UFJGLCGBWHPGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-16(10-6-4-3-5-7-10)11(17)8-18-12-13-9-14-15-12/h9-10H,2-8H2,1H3,(H,13,14,15).
What are the key properties of N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 268.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2342823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).