methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate

C16H12F2N2O3S — CID 142502417

IUPACmethyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(n1)N(Cc1cc(F)cc(F)c1)C(=O)CS2
InChIInChI=1S/C16H12F2N2O3S/c1-23-16(22)12-2-3-13-15(19-12)20(14(21)8-24-13)7-9-4-10(17)6-11(18)5-9/h2-6H,7-8H2,1H3
InChIKeyRTCBUZPDBZODNX-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.79
Rot. Bonds3

About methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate

methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate (PubChem CID 142502417) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate
PubChem CID142502417
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC Namemethyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate
SMILESCOC(=O)c1ccc2c(n1)N(Cc1cc(F)cc(F)c1)C(=O)CS2
InChIInChI=1S/C16H12F2N2O3S/c1-23-16(22)12-2-3-13-15(19-12)20(14(21)8-24-13)7-9-4-10(17)6-11(18)5-9/h2-6H,7-8H2,1H3
InChIKeyRTCBUZPDBZODNX-UHFFFAOYSA-N
XLogP2.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate?
The IUPAC name of methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate (CID 142502417) is methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate.
What is the SMILES notation for methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate?
The canonical SMILES for methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate is COC(=O)c1ccc2c(n1)N(Cc1cc(F)cc(F)c1)C(=O)CS2.
What is the InChIKey of methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate?
The InChIKey is RTCBUZPDBZODNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-23-16(22)12-2-3-13-15(19-12)20(14(21)8-24-13)7-9-4-10(17)6-11(18)5-9/h2-6H,7-8H2,1H3.
What are the key properties of methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate?
methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate has a molecular weight of 350.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3,5-difluorophenyl)methyl]-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxylate is sourced from PubChem (CID 142502417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).