2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide

C17H18N4OS — CID 144630686

IUPAC2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESN#Cc1cccc(CC(=O)Nc2nnc(C3CCCCC3)s2)c1
InChIInChI=1S/C17H18N4OS/c18-11-13-6-4-5-12(9-13)10-15(22)19-17-21-20-16(23-17)14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10H2,(H,19,21,22)
InChIKeyQBNOPRVKQGAVTE-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.64
Rot. Bonds4

About 2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide

2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 144630686) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID144630686
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESN#Cc1cccc(CC(=O)Nc2nnc(C3CCCCC3)s2)c1
InChIInChI=1S/C17H18N4OS/c18-11-13-6-4-5-12(9-13)10-15(22)19-17-21-20-16(23-17)14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10H2,(H,19,21,22)
InChIKeyQBNOPRVKQGAVTE-UHFFFAOYSA-N
XLogP3.64
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide (CID 144630686) is 2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide is N#Cc1cccc(CC(=O)Nc2nnc(C3CCCCC3)s2)c1.
What is the InChIKey of 2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QBNOPRVKQGAVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c18-11-13-6-4-5-12(9-13)10-15(22)19-17-21-20-16(23-17)14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,10H2,(H,19,21,22).
What are the key properties of 2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 144630686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).