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

C12H12N2O2S — CID 146132900

IUPAC2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate
SMILESCc1cccnc1C(=O)OCCc1cncs1
InChIInChI=1S/C12H12N2O2S/c1-9-3-2-5-14-11(9)12(15)16-6-4-10-7-13-8-17-10/h2-3,5,7-8H,4,6H2,1H3
InChIKeyPDSRYWBBTZQTLZ-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.25
Rot. Bonds4

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

2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate (PubChem CID 146132900) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate
PubChem CID146132900
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate
SMILESCc1cccnc1C(=O)OCCc1cncs1
InChIInChI=1S/C12H12N2O2S/c1-9-3-2-5-14-11(9)12(15)16-6-4-10-7-13-8-17-10/h2-3,5,7-8H,4,6H2,1H3
InChIKeyPDSRYWBBTZQTLZ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
propyl 3-hydroxypyridine-2-carboxylate
CID 60923594
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CID 115735497
1-(3-methyl-2-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112642901
2-(1,3-thiazol-5-yl)ethyl 5-(3-methoxyphenyl)-2-methylfuran-3-carboxylate
CID 166360111
ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
CID 53419388
butyl 3-bromopyridine-2-carboxylate
CID 107519649
2-ethoxyethyl 3-aminopyridine-2-carboxylate
CID 115867339
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate
CID 75376218
ethyl 3-aminopyridine-2-carboxylate
CID 565054
4-(1,3-thiazol-5-yl)butanamide
CID 66579232
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate?
The IUPAC name of 2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate (CID 146132900) is 2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate?
The canonical SMILES for 2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate is Cc1cccnc1C(=O)OCCc1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate?
The InChIKey is PDSRYWBBTZQTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-3-2-5-14-11(9)12(15)16-6-4-10-7-13-8-17-10/h2-3,5,7-8H,4,6H2,1H3.
What are the key properties of 2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate?
2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate has a molecular weight of 248.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate is sourced from PubChem (CID 146132900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).