(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate

C16H10F2N2O2S — CID 3506632

IUPAC(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate
SMILESCc1sc(-c2ccncc2)nc1OC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H10F2N2O2S/c1-9-14(20-15(23-9)10-4-6-19-7-5-10)22-16(21)12-3-2-11(17)8-13(12)18/h2-8H,1H3
InChIKeyJSDQNCFJXXRFCV-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.01
Rot. Bonds3

About (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate

(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate (PubChem CID 3506632) has the molecular formula C16H10F2N2O2S and a molecular weight of 332.33 g/mol. Its IUPAC name is (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate.

Molecular Properties

Compound Name(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate
PubChem CID3506632
Molecular FormulaC16H10F2N2O2S
Molecular Weight332.33 g/mol
Exact Mass332.04
IUPAC Name(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate
SMILESCc1sc(-c2ccncc2)nc1OC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H10F2N2O2S/c1-9-14(20-15(23-9)10-4-6-19-7-5-10)22-16(21)12-3-2-11(17)8-13(12)18/h2-8H,1H3
InChIKeyJSDQNCFJXXRFCV-UHFFFAOYSA-N
XLogP4.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate?
The IUPAC name of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate (CID 3506632) is (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate.
What is the SMILES notation for (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate?
The canonical SMILES for (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate is Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(F)cc1F.
What is the InChIKey of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate?
The InChIKey is JSDQNCFJXXRFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O2S/c1-9-14(20-15(23-9)10-4-6-19-7-5-10)22-16(21)12-3-2-11(17)8-13(12)18/h2-8H,1H3.
What are the key properties of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate?
(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate has a molecular weight of 332.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 2,4-difluorobenzoate is sourced from PubChem (CID 3506632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).