2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde

C12H11FN2O2S — CID 178132863

IUPAC2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCOc1ncc(F)cc1-c1nc(C)c(C=O)s1
InChIInChI=1S/C12H11FN2O2S/c1-3-17-11-9(4-8(13)5-14-11)12-15-7(2)10(6-16)18-12/h4-6H,3H2,1-2H3
InChIKeyXKLGLYUJHSZQIP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde

2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 178132863) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID178132863
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCOc1ncc(F)cc1-c1nc(C)c(C=O)s1
InChIInChI=1S/C12H11FN2O2S/c1-3-17-11-9(4-8(13)5-14-11)12-15-7(2)10(6-16)18-12/h4-6H,3H2,1-2H3
InChIKeyXKLGLYUJHSZQIP-UHFFFAOYSA-N
XLogP2.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 178133988
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 131616366
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885687
2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 131566329
2-[2-(difluoromethoxy)-5-fluoro-3-pyridinyl]-1,3-thiazole-5-carbaldehyde
CID 178133864
4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885669
2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764542
4-(2-butoxy-5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole
CID 70812060
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 157056906
3-ethyl-5-fluoro-2-methylpyridine
CID 118913219
5-chloro-2-ethoxypyridine-3-carbaldehyde
CID 86084027
4-methyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 115003475

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde (CID 178132863) is 2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde is CCOc1ncc(F)cc1-c1nc(C)c(C=O)s1.
What is the InChIKey of 2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is XKLGLYUJHSZQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-3-17-11-9(4-8(13)5-14-11)12-15-7(2)10(6-16)18-12/h4-6H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde?
2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 178132863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).