ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate

C12H14N2O3S — CID 162531782

IUPACethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(O)C2=CSCN2)n1
InChIInChI=1S/C12H14N2O3S/c1-2-17-12(16)9-5-3-4-8(14-9)11(15)10-6-18-7-13-10/h3-6,11,13,15H,2,7H2,1H3
InChIKeyDXGBWOSLTQDGTG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.43
Rot. Bonds4

About ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate

ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate (PubChem CID 162531782) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate
PubChem CID162531782
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Nameethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(O)C2=CSCN2)n1
InChIInChI=1S/C12H14N2O3S/c1-2-17-12(16)9-5-3-4-8(14-9)11(15)10-6-18-7-13-10/h3-6,11,13,15H,2,7H2,1H3
InChIKeyDXGBWOSLTQDGTG-UHFFFAOYSA-N
XLogP1.43
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate
CID 135012429
ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869074
ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 171864733
4-(6-ethoxycarbonyl-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878354
ethyl 6-(4-bromo-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171892688
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
diethoxymethoxyethane;ethyl 6-(diethoxymethyl)pyridine-2-carboxylate;ethyl 6-formylpyridine-2-carboxylate
CID 162141266
ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
CID 155937838
ethyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylate
CID 171885520
ethyl 6-[4-[4-[4-[2,6-bis(6-ethoxycarbonyl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]-6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylate
CID 177391937
ethyl pyridine-2-carboxylate
CID 17307

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate (CID 162531782) is ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C(O)C2=CSCN2)n1.
What is the InChIKey of ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate?
The InChIKey is DXGBWOSLTQDGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-17-12(16)9-5-3-4-8(14-9)11(15)10-6-18-7-13-10/h3-6,11,13,15H,2,7H2,1H3.
What are the key properties of ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate?
ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 162531782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).