2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide

C8H8N6OS — CID 114912577

IUPAC2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2nnns2)ccn1
InChIInChI=1S/C8H8N6OS/c9-4-6-3-5(1-2-10-6)7(15)11-8-12-13-14-16-8/h1-3H,4,9H2,(H,11,12,14,15)
InChIKeyIYUYURDAQMKAEP-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.04
Rot. Bonds3

About 2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide

2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide (PubChem CID 114912577) has the molecular formula C8H8N6OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide
PubChem CID114912577
Molecular FormulaC8H8N6OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2nnns2)ccn1
InChIInChI=1S/C8H8N6OS/c9-4-6-3-5(1-2-10-6)7(15)11-8-12-13-14-16-8/h1-3H,4,9H2,(H,11,12,14,15)
InChIKeyIYUYURDAQMKAEP-UHFFFAOYSA-N
XLogP0.04
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide
CID 114912096
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide
CID 114912391
3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
CID 114911608
2-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114326356
2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
CID 114325839
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide
CID 103222246
2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 114326756

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide (CID 114912577) is 2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide is NCc1cc(C(=O)Nc2nnns2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide?
The InChIKey is IYUYURDAQMKAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS/c9-4-6-3-5(1-2-10-6)7(15)11-8-12-13-14-16-8/h1-3H,4,9H2,(H,11,12,14,15).
What are the key properties of 2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114912577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).