3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one

C9H9N3OS — CID 64993682

IUPAC3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one
SMILESNCc1ccc(-c2nccs2)[nH]c1=O
InChIInChI=1S/C9H9N3OS/c10-5-6-1-2-7(12-8(6)13)9-11-3-4-14-9/h1-4H,5,10H2,(H,12,13)
InChIKeyTZUIRXRGSSSNKA-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.96
Rot. Bonds2

About 3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one

3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one (PubChem CID 64993682) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one
PubChem CID64993682
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one
SMILESNCc1ccc(-c2nccs2)[nH]c1=O
InChIInChI=1S/C9H9N3OS/c10-5-6-1-2-7(12-8(6)13)9-11-3-4-14-9/h1-4H,5,10H2,(H,12,13)
InChIKeyTZUIRXRGSSSNKA-UHFFFAOYSA-N
XLogP0.96
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one (CID 64993682) is 3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one is NCc1ccc(-c2nccs2)[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one?
The InChIKey is TZUIRXRGSSSNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-5-6-1-2-7(12-8(6)13)9-11-3-4-14-9/h1-4H,5,10H2,(H,12,13).
What are the key properties of 3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one?
3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one has a molecular weight of 207.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(1,3-thiazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 64993682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).