1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one

C9H9N3OS — CID 62880002

IUPAC1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one
SMILESNc1nc(Cn2ccc(=O)cc2)cs1
InChIInChI=1S/C9H9N3OS/c10-9-11-7(6-14-9)5-12-3-1-8(13)2-4-12/h1-4,6H,5H2,(H2,10,11)
InChIKeyHOFUKRPDCAVLEJ-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.94
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one

1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one (PubChem CID 62880002) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one
PubChem CID62880002
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one
SMILESNc1nc(Cn2ccc(=O)cc2)cs1
InChIInChI=1S/C9H9N3OS/c10-9-11-7(6-14-9)5-12-3-1-8(13)2-4-12/h1-4,6H,5H2,(H2,10,11)
InChIKeyHOFUKRPDCAVLEJ-UHFFFAOYSA-N
XLogP0.94
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one?
The IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one (CID 62880002) is 1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one is Nc1nc(Cn2ccc(=O)cc2)cs1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one?
The InChIKey is HOFUKRPDCAVLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-9-11-7(6-14-9)5-12-3-1-8(13)2-4-12/h1-4,6H,5H2,(H2,10,11).
What are the key properties of 1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one?
1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one has a molecular weight of 207.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one is sourced from PubChem (CID 62880002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).