N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide

C10H10N4OS — CID 65216285

IUPACN-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide
SMILESNCc1ccccc1NC(=O)c1csnn1
InChIInChI=1S/C10H10N4OS/c11-5-7-3-1-2-4-8(7)12-10(15)9-6-16-14-13-9/h1-4,6H,5,11H2,(H,12,15)
InChIKeyPTEDEGZNMAFZDT-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.25
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide

N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide (PubChem CID 65216285) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide
PubChem CID65216285
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC NameN-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide
SMILESNCc1ccccc1NC(=O)c1csnn1
InChIInChI=1S/C10H10N4OS/c11-5-7-3-1-2-4-8(7)12-10(15)9-6-16-14-13-9/h1-4,6H,5,11H2,(H,12,15)
InChIKeyPTEDEGZNMAFZDT-UHFFFAOYSA-N
XLogP1.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(aminomethyl)phenyl]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

2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid
CID 65214345
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
N-[2-(aminomethyl)phenyl]-2-iodobenzamide
CID 64882136
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
N-[2-(aminomethyl)phenyl]-2,3-dichlorobenzamide
CID 64882330
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502622
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
2-(aminomethyl)-N-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376075
N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide
CID 64895437

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide (CID 65216285) is N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide is NCc1ccccc1NC(=O)c1csnn1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide?
The InChIKey is PTEDEGZNMAFZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-5-7-3-1-2-4-8(7)12-10(15)9-6-16-14-13-9/h1-4,6H,5,11H2,(H,12,15).
What are the key properties of N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide?
N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide has a molecular weight of 234.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 65216285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).