2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid

C14H16N2O3S — CID 106039105

IUPAC2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid
SMILESCc1nc(CCn2c(C)c(C(=O)O)c(C)cc2=O)cs1
InChIInChI=1S/C14H16N2O3S/c1-8-6-12(17)16(9(2)13(8)14(18)19)5-4-11-7-20-10(3)15-11/h6-7H,4-5H2,1-3H3,(H,18,19)
InChIKeyKNJUXFSHBQWPBE-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.17
Rot. Bonds4

About 2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid

2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 106039105) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID106039105
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid
SMILESCc1nc(CCn2c(C)c(C(=O)O)c(C)cc2=O)cs1
InChIInChI=1S/C14H16N2O3S/c1-8-6-12(17)16(9(2)13(8)14(18)19)5-4-11-7-20-10(3)15-11/h6-7H,4-5H2,1-3H3,(H,18,19)
InChIKeyKNJUXFSHBQWPBE-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-[2,5-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrol-3-yl]propan-1-one
CID 106038781
2,4-dimethyl-1-(2-methylprop-2-enyl)-6-oxopyridine-3-carboxylic acid
CID 114619096
1,3-dimethyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrazole-4-carboxylic acid
CID 106042814
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzotriazole-5-carboxylic acid
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2-[[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106034059
2-[5-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 106038664
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one
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6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione
CID 106040512
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 64990036
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxylic acid
CID 62799012
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid (CID 106039105) is 2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid is Cc1nc(CCn2c(C)c(C(=O)O)c(C)cc2=O)cs1.
What is the InChIKey of 2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is KNJUXFSHBQWPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-6-12(17)16(9(2)13(8)14(18)19)5-4-11-7-20-10(3)15-11/h6-7H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid?
2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 106039105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).