benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

C17H14N2O2S — CID 8918530

IUPACbenzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccnc2)n1)OCc1ccccc1
InChIInChI=1S/C17H14N2O2S/c20-16(21-11-13-5-2-1-3-6-13)9-15-12-22-17(19-15)14-7-4-8-18-10-14/h1-8,10,12H,9,11H2
InChIKeyXCSREVSGTBPZNT-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.49
Rot. Bonds5

About benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8918530) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID8918530
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Namebenzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccnc2)n1)OCc1ccccc1
InChIInChI=1S/C17H14N2O2S/c20-16(21-11-13-5-2-1-3-6-13)9-15-12-22-17(19-15)14-7-4-8-18-10-14/h1-8,10,12H,9,11H2
InChIKeyXCSREVSGTBPZNT-UHFFFAOYSA-N
XLogP3.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-thiophen-2-ylethyl) 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919072
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920510
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920515
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919250
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-(3-aminopropyl)-N-benzyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120649145
N-benzyl-N-(2-methoxyethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 99152320
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919575
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918626
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920773
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918987

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 8918530) is benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2cccnc2)n1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is XCSREVSGTBPZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-16(21-11-13-5-2-1-3-6-13)9-15-12-22-17(19-15)14-7-4-8-18-10-14/h1-8,10,12H,9,11H2.
What are the key properties of benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 310.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8918530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).