N-(2-cyanophenyl)thiadiazole-4-carboxamide

C10H6N4OS — CID 65214777

IUPACN-(2-cyanophenyl)thiadiazole-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1csnn1
InChIInChI=1S/C10H6N4OS/c11-5-7-3-1-2-4-8(7)12-10(15)9-6-16-14-13-9/h1-4,6H,(H,12,15)
InChIKeyMBQYXKITTHYTAE-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.66
Rot. Bonds2

About N-(2-cyanophenyl)thiadiazole-4-carboxamide

N-(2-cyanophenyl)thiadiazole-4-carboxamide (PubChem CID 65214777) has the molecular formula C10H6N4OS and a molecular weight of 230.25 g/mol. Its IUPAC name is N-(2-cyanophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)thiadiazole-4-carboxamide
PubChem CID65214777
Molecular FormulaC10H6N4OS
Molecular Weight230.25 g/mol
Exact Mass230.03
IUPAC NameN-(2-cyanophenyl)thiadiazole-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1csnn1
InChIInChI=1S/C10H6N4OS/c11-5-7-3-1-2-4-8(7)12-10(15)9-6-16-14-13-9/h1-4,6H,(H,12,15)
InChIKeyMBQYXKITTHYTAE-UHFFFAOYSA-N
XLogP1.66
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)thiadiazole-4-carboxamide (CID 65214777) is N-(2-cyanophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)thiadiazole-4-carboxamide is N#Cc1ccccc1NC(=O)c1csnn1.
What is the InChIKey of N-(2-cyanophenyl)thiadiazole-4-carboxamide?
The InChIKey is MBQYXKITTHYTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS/c11-5-7-3-1-2-4-8(7)12-10(15)9-6-16-14-13-9/h1-4,6H,(H,12,15).
What are the key properties of N-(2-cyanophenyl)thiadiazole-4-carboxamide?
N-(2-cyanophenyl)thiadiazole-4-carboxamide has a molecular weight of 230.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 65214777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).