N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide

C11H10N6OS — CID 91766819

IUPACN-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
SMILESCc1nnsc1CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C11H10N6OS/c1-6-10(19-17-13-6)5-12-11(18)7-2-3-8-9(4-7)15-16-14-8/h2-4H,5H2,1H3,(H,12,18)(H,14,15,16)
InChIKeyNUHZLLRENNHAAQ-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.05
Rot. Bonds3

About N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide

N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide (PubChem CID 91766819) has the molecular formula C11H10N6OS and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
PubChem CID91766819
Molecular FormulaC11H10N6OS
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC NameN-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
SMILESCc1nnsc1CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C11H10N6OS/c1-6-10(19-17-13-6)5-12-11(18)7-2-3-8-9(4-7)15-16-14-8/h2-4H,5H2,1H3,(H,12,18)(H,14,15,16)
InChIKeyNUHZLLRENNHAAQ-UHFFFAOYSA-N
XLogP1.05
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide (CID 91766819) is N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide is Cc1nnsc1CNC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is NUHZLLRENNHAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS/c1-6-10(19-17-13-6)5-12-11(18)7-2-3-8-9(4-7)15-16-14-8/h2-4H,5H2,1H3,(H,12,18)(H,14,15,16).
What are the key properties of N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide?
N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 274.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 91766819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).