2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C13H14N6OS — CID 46527260

IUPAC2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cn2nnc3ccccc32)s1
InChIInChI=1S/C13H14N6OS/c1-2-5-12-16-17-13(21-12)14-11(20)8-19-10-7-4-3-6-9(10)15-18-19/h3-4,6-7H,2,5,8H2,1H3,(H,14,17,20)
InChIKeyWVSUQEWMRFGBCY-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.87
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 46527260) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID46527260
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)Cn2nnc3ccccc32)s1
InChIInChI=1S/C13H14N6OS/c1-2-5-12-16-17-13(21-12)14-11(20)8-19-10-7-4-3-6-9(10)15-18-19/h3-4,6-7H,2,5,8H2,1H3,(H,14,17,20)
InChIKeyWVSUQEWMRFGBCY-UHFFFAOYSA-N
XLogP1.87
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 34111682
3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 86909345
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24647730
2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 43989192
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34807050
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
CID 7504393
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(3-methylphenyl)-2-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 78792369
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31036968

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 46527260) is 2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)Cn2nnc3ccccc32)s1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WVSUQEWMRFGBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-2-5-12-16-17-13(21-12)14-11(20)8-19-10-7-4-3-6-9(10)15-18-19/h3-4,6-7H,2,5,8H2,1H3,(H,14,17,20).
What are the key properties of 2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 302.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 46527260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).