2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one

C9H8N2OS — CID 139374180

IUPAC2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one
SMILESCc1ncc(-c2cc(=O)cc[nH]2)s1
InChIInChI=1S/C9H8N2OS/c1-6-11-5-9(13-6)8-4-7(12)2-3-10-8/h2-5H,1H3,(H,10,12)
InChIKeyAOUVNZQCWWRKLF-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds1

About 2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one

2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one (PubChem CID 139374180) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one
PubChem CID139374180
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one
SMILESCc1ncc(-c2cc(=O)cc[nH]2)s1
InChIInChI=1S/C9H8N2OS/c1-6-11-5-9(13-6)8-4-7(12)2-3-10-8/h2-5H,1H3,(H,10,12)
InChIKeyAOUVNZQCWWRKLF-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-4-one
CID 106787600
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 106787609
4-(2-Methyl-1,3-thiazol-5-yl)but-3-en-2-one
CID 13934729
1-(2-Methyl-5-thiazolyl)but-1-en-3-one
CID 54191430
N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]acetamide
CID 118544444
(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 131243669
(Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine
CID 139474956
(E)-N-(2-aminocyclohexa-1,5-dien-1-yl)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 142622996
methanamine;(E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enal
CID 145452178
(Z)-N-methyl-1-(2-propan-2-yl-1,3-thiazol-5-yl)prop-1-en-1-amine
CID 145684963
4-hydroxy-6-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 175907839
1-Methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
CID 60938147

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one (CID 139374180) is 2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one is Cc1ncc(-c2cc(=O)cc[nH]2)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one?
The InChIKey is AOUVNZQCWWRKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-11-5-9(13-6)8-4-7(12)2-3-10-8/h2-5H,1H3,(H,10,12).
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one?
2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one has a molecular weight of 192.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)-1H-pyridin-4-one is sourced from PubChem (CID 139374180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).