[1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate

C11H10N2O2S — CID 175251940

IUPAC[1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate
SMILESO=COC(Cc1cncs1)c1cccnc1
InChIInChI=1S/C11H10N2O2S/c14-8-15-11(4-10-6-13-7-16-10)9-2-1-3-12-5-9/h1-3,5-8,11H,4H2
InChIKeyMDKFGRLKIKNTCS-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.99
Rot. Bonds5

About [1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate

[1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate (PubChem CID 175251940) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is [1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate.

Molecular Properties

Compound Name[1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate
PubChem CID175251940
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name[1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate
SMILESO=COC(Cc1cncs1)c1cccnc1
InChIInChI=1S/C11H10N2O2S/c14-8-15-11(4-10-6-13-7-16-10)9-2-1-3-12-5-9/h1-3,5-8,11H,4H2
InChIKeyMDKFGRLKIKNTCS-UHFFFAOYSA-N
XLogP1.99
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.99
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-(1H-imidazol-5-yl)-1-pyridin-3-ylethyl] formate
CID 174680806
[2-(3,4-dihydroquinolin-5-yl)-1-pyridin-3-ylethyl] formate
CID 174621263
2-pyridin-3-yl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 174430323
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
5-(3-bromo-2-methyl-3-phenylpropyl)-1,3-thiazole
CID 104846594
[1-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)ethyl] formate
CID 174555012
3-pyridin-3-ylbutanal
CID 12727117
[1-(3-ethyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105262110
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
1-phenyl-4-(1,3-thiazol-5-yl)butan-1-ol
CID 112644716
[1-(4-iodophenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105332133

Frequently Asked Questions

What is the IUPAC name of [1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate?
The IUPAC name of [1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate (CID 175251940) is [1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate.
What is the SMILES notation for [1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate?
The canonical SMILES for [1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate is O=COC(Cc1cncs1)c1cccnc1.
What is the InChIKey of [1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate?
The InChIKey is MDKFGRLKIKNTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-8-15-11(4-10-6-13-7-16-10)9-2-1-3-12-5-9/h1-3,5-8,11H,4H2.
What are the key properties of [1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate?
[1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate has a molecular weight of 234.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-pyridin-3-yl-2-(1,3-thiazol-5-yl)ethyl] formate is sourced from PubChem (CID 175251940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).