6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde

C12H12N2O2S — CID 79035489

IUPAC6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
SMILESCc1ccc(OCc2csc(C)n2)c(C=O)n1
InChIInChI=1S/C12H12N2O2S/c1-8-3-4-12(11(5-15)13-8)16-6-10-7-17-9(2)14-10/h3-5,7H,6H2,1-2H3
InChIKeyDXSRRKMRDBPTSG-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.55
Rot. Bonds4

About 6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde

6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde (PubChem CID 79035489) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
PubChem CID79035489
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
SMILESCc1ccc(OCc2csc(C)n2)c(C=O)n1
InChIInChI=1S/C12H12N2O2S/c1-8-3-4-12(11(5-15)13-8)16-6-10-7-17-9(2)14-10/h3-5,7H,6H2,1-2H3
InChIKeyDXSRRKMRDBPTSG-UHFFFAOYSA-N
XLogP2.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.55
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

6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79158538
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 16769172
4-[[4-[(2S,3R)-4-[3,4-bis[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2,3-dimethylbutyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]-2-methyl-1,3-thiazole
CID 59159875
3-hept-6-enoxy-6-methylpyridine-2-carbaldehyde
CID 107007333
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
CID 78929085
4-bromo-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]aniline
CID 103009149
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338532

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde (CID 79035489) is 6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde is Cc1ccc(OCc2csc(C)n2)c(C=O)n1.
What is the InChIKey of 6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde?
The InChIKey is DXSRRKMRDBPTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-3-4-12(11(5-15)13-8)16-6-10-7-17-9(2)14-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde?
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde has a molecular weight of 248.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 79035489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).