methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate

C11H8F2N2O3S — CID 178132972

IUPACmethyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cccnc2OC(F)F)s1
InChIInChI=1S/C11H8F2N2O3S/c1-17-10(16)7-5-15-9(19-7)6-3-2-4-14-8(6)18-11(12)13/h2-5,11H,1H3
InChIKeyLJBDBGZVGNPNDH-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.59
Rot. Bonds4

About methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate

methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate (PubChem CID 178132972) has the molecular formula C11H8F2N2O3S and a molecular weight of 286.26 g/mol. Its IUPAC name is methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate
PubChem CID178132972
Molecular FormulaC11H8F2N2O3S
Molecular Weight286.26 g/mol
Exact Mass286.02
IUPAC Namemethyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cccnc2OC(F)F)s1
InChIInChI=1S/C11H8F2N2O3S/c1-17-10(16)7-5-15-9(19-7)6-3-2-4-14-8(6)18-11(12)13/h2-5,11H,1H3
InChIKeyLJBDBGZVGNPNDH-UHFFFAOYSA-N
XLogP2.59
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 80572561
1-[2-[2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]ethanone
CID 62653727
methyl 2-[4-(difluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 115524717
methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrrole-3-carboxylate
CID 174957430
methyl (3S)-1-[[2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazol-5-yl]methyl]-3-ethoxypiperidine-3-carboxylate;2-methylpropane
CID 178133005
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate
CID 103372984
1-[2-(difluoromethoxy)-3-pyridinyl]ethanone
CID 130837604
methyl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole-5-carboxylate
CID 80573673
methyl 2-thieno[3,2-c]pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 178134364
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 80572975

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate (CID 178132972) is methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-c2cccnc2OC(F)F)s1.
What is the InChIKey of methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate?
The InChIKey is LJBDBGZVGNPNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3S/c1-17-10(16)7-5-15-9(19-7)6-3-2-4-14-8(6)18-11(12)13/h2-5,11H,1H3.
What are the key properties of methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate?
methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate has a molecular weight of 286.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(difluoromethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 178132972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).