(2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

C17H12ClFN2O2S — CID 8918552

IUPAC(2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccnc2)n1)OCc1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFN2O2S/c18-14-4-1-5-15(19)13(14)9-23-16(22)7-12-10-24-17(21-12)11-3-2-6-20-8-11/h1-6,8,10H,7,9H2
InChIKeyCGWVHUBBFPNDMG-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.28
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

(2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8918552) has the molecular formula C17H12ClFN2O2S and a molecular weight of 362.81 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID8918552
Molecular FormulaC17H12ClFN2O2S
Molecular Weight362.81 g/mol
Exact Mass362.03
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccnc2)n1)OCc1c(F)cccc1Cl
InChIInChI=1S/C17H12ClFN2O2S/c18-14-4-1-5-15(19)13(14)9-23-16(22)7-12-10-24-17(21-12)11-3-2-6-20-8-11/h1-6,8,10H,7,9H2
InChIKeyCGWVHUBBFPNDMG-UHFFFAOYSA-N
XLogP4.28
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 8918552) is (2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2cccnc2)n1)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is CGWVHUBBFPNDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2S/c18-14-4-1-5-15(19)13(14)9-23-16(22)7-12-10-24-17(21-12)11-3-2-6-20-8-11/h1-6,8,10H,7,9H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
(2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 362.81 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8918552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).