2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate

C13H14N2O2S — CID 75376218

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate
SMILESCc1ccncc1C(=O)OCCc1scnc1C
InChIInChI=1S/C13H14N2O2S/c1-9-3-5-14-7-11(9)13(16)17-6-4-12-10(2)15-8-18-12/h3,5,7-8H,4,6H2,1-2H3
InChIKeyFOHWOQDILCHQIT-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate

2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate (PubChem CID 75376218) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate
PubChem CID75376218
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate
SMILESCc1ccncc1C(=O)OCCc1scnc1C
InChIInChI=1S/C13H14N2O2S/c1-9-3-5-14-7-11(9)13(16)17-6-4-12-10(2)15-8-18-12/h3,5,7-8H,4,6H2,1-2H3
InChIKeyFOHWOQDILCHQIT-UHFFFAOYSA-N
XLogP2.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate
CID 86939183
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-(methylsulfanylmethyl)benzoate
CID 86917963
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-methoxy-5-nitrobenzoate
CID 60606283
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-benzylpyrazole-4-carboxylate
CID 134044519
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
methyl 4-methylpyridine-3-carboxylate
CID 10877301
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948
triethyl-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-oxoethyl]azanium bromide
CID 167666489
methyl 3-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoate
CID 115935655
1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62029445

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate (CID 75376218) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate is Cc1ccncc1C(=O)OCCc1scnc1C.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate?
The InChIKey is FOHWOQDILCHQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-3-5-14-7-11(9)13(16)17-6-4-12-10(2)15-8-18-12/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate has a molecular weight of 262.33 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 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate is sourced from PubChem (CID 75376218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).