N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide

C9H6N6OS — CID 71918391

IUPACN-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)c1csnn1
InChIInChI=1S/C9H6N6OS/c16-9(8-4-17-15-13-8)10-5-1-2-6-7(3-5)12-14-11-6/h1-4H,(H,10,16)(H,11,12,14)
InChIKeyUCHMIEDUINWTDH-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.06
Rot. Bonds2

About N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide

N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide (PubChem CID 71918391) has the molecular formula C9H6N6OS and a molecular weight of 246.26 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
PubChem CID71918391
Molecular FormulaC9H6N6OS
Molecular Weight246.26 g/mol
Exact Mass246.03
IUPAC NameN-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)c1csnn1
InChIInChI=1S/C9H6N6OS/c16-9(8-4-17-15-13-8)10-5-1-2-6-7(3-5)12-14-11-6/h1-4H,(H,10,16)(H,11,12,14)
InChIKeyUCHMIEDUINWTDH-UHFFFAOYSA-N
XLogP1.06
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide 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

N-(2,3-dihydro-1H-indol-5-yl)thiadiazole-4-carboxamide
CID 65216392
N-(3-bromo-4-methylphenyl)thiadiazole-4-carboxamide
CID 61068672
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide
CID 75391622
N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 1454928
N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide
CID 75513025
2-hydroxy-4-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214129
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
CID 119547224
N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)thiadiazole-4-carboxamide
CID 14476428
5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid
CID 65214706
N-(6-amino-3-pyridinyl)thiadiazole-4-carboxamide
CID 65216177
N-[4-(3-hydroxyprop-1-ynyl)phenyl]thiadiazole-4-carboxamide
CID 65216612
N-(2H-benzotriazol-5-yl)-2-cyanoacetamide
CID 168520627

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide (CID 71918391) is N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide is O=C(Nc1ccc2n[nH]nc2c1)c1csnn1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide?
The InChIKey is UCHMIEDUINWTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6OS/c16-9(8-4-17-15-13-8)10-5-1-2-6-7(3-5)12-14-11-6/h1-4H,(H,10,16)(H,11,12,14).
What are the key properties of N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide?
N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide has a molecular weight of 246.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 71918391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).