N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C16H18N6O2S — CID 34807050

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCCCCc1nnc(NC(=O)CCn2nnc3ccccc3c2=O)s1
InChIInChI=1S/C16H18N6O2S/c1-2-3-8-14-19-20-16(25-14)17-13(23)9-10-22-15(24)11-6-4-5-7-12(11)18-21-22/h4-7H,2-3,8-10H2,1H3,(H,17,20,23)
InChIKeyNHBHFDWVUKKEAG-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.01
Rot. Bonds7

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 34807050) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID34807050
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCCCCc1nnc(NC(=O)CCn2nnc3ccccc3c2=O)s1
InChIInChI=1S/C16H18N6O2S/c1-2-3-8-14-19-20-16(25-14)17-13(23)9-10-22-15(24)11-6-4-5-7-12(11)18-21-22/h4-7H,2-3,8-10H2,1H3,(H,17,20,23)
InChIKeyNHBHFDWVUKKEAG-UHFFFAOYSA-N
XLogP2.01
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide 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

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 34111682
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 45491632
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24647730
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51261916
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 46527260
3-(1H-benzimidazol-2-yl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31039066
N-(4-anilinophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 29265855
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081150
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 39498617

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 34807050) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is CCCCc1nnc(NC(=O)CCn2nnc3ccccc3c2=O)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is NHBHFDWVUKKEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-2-3-8-14-19-20-16(25-14)17-13(23)9-10-22-15(24)11-6-4-5-7-12(11)18-21-22/h4-7H,2-3,8-10H2,1H3,(H,17,20,23).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 358.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 34807050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).