2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide

C14H16N6OS — CID 75357570

IUPAC2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCc1nnc(NC(=O)C(CC)n2nnc3ccccc32)s1
InChIInChI=1S/C14H16N6OS/c1-3-10(13(21)15-14-18-17-12(4-2)22-14)20-11-8-6-5-7-9(11)16-19-20/h5-8,10H,3-4H2,1-2H3,(H,15,18,21)
InChIKeyPXDSPEKHMXIFJW-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.43
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide

2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 75357570) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID75357570
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCc1nnc(NC(=O)C(CC)n2nnc3ccccc32)s1
InChIInChI=1S/C14H16N6OS/c1-3-10(13(21)15-14-18-17-12(4-2)22-14)20-11-8-6-5-7-9(11)16-19-20/h5-8,10H,3-4H2,1-2H3,(H,15,18,21)
InChIKeyPXDSPEKHMXIFJW-UHFFFAOYSA-N
XLogP2.43
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(benzimidazol-1-yl)-N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 51495819
2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 46527260
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 18084166
(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272482
2-(benzotriazol-1-yl)-3-methoxypropanehydrazide
CID 103229848
(2S)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 52900061
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
2-(2-butan-2-ylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54787234
N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 8927340

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide (CID 75357570) is 2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide is CCc1nnc(NC(=O)C(CC)n2nnc3ccccc32)s1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is PXDSPEKHMXIFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-3-10(13(21)15-14-18-17-12(4-2)22-14)20-11-8-6-5-7-9(11)16-19-20/h5-8,10H,3-4H2,1-2H3,(H,15,18,21).
What are the key properties of 2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide?
2-(benzotriazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 316.39 g/mol, XLogP of 2.43, 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-ethyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 75357570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).