10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine

C19H15FN2OS — CID 134143338

IUPAC10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine
SMILESCOc1ccc(CN2c3ccccc3Sc3cccnc32)cc1F
InChIInChI=1S/C19H15FN2OS/c1-23-16-9-8-13(11-14(16)20)12-22-15-5-2-3-6-17(15)24-18-7-4-10-21-19(18)22/h2-11H,12H2,1H3
InChIKeyHDRONPKVZAQWCB-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.03
Rot. Bonds3

About 10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine

10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine (PubChem CID 134143338) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine
PubChem CID134143338
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine
SMILESCOc1ccc(CN2c3ccccc3Sc3cccnc32)cc1F
InChIInChI=1S/C19H15FN2OS/c1-23-16-9-8-13(11-14(16)20)12-22-15-5-2-3-6-17(15)24-18-7-4-10-21-19(18)22/h2-11H,12H2,1H3
InChIKeyHDRONPKVZAQWCB-UHFFFAOYSA-N
XLogP5.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine?
The IUPAC name of 10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine (CID 134143338) is 10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine?
The canonical SMILES for 10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine is COc1ccc(CN2c3ccccc3Sc3cccnc32)cc1F.
What is the InChIKey of 10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine?
The InChIKey is HDRONPKVZAQWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c1-23-16-9-8-13(11-14(16)20)12-22-15-5-2-3-6-17(15)24-18-7-4-10-21-19(18)22/h2-11H,12H2,1H3.
What are the key properties of 10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine?
10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine has a molecular weight of 338.41 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-fluoro-4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 134143338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).