N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C14H11BrFN3OS — CID 20920688

IUPACN-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)N1CCSc2ncccc21
InChIInChI=1S/C14H11BrFN3OS/c15-9-3-4-11(10(16)8-9)18-14(20)19-6-7-21-13-12(19)2-1-5-17-13/h1-5,8H,6-7H2,(H,18,20)
InChIKeyGBUOJUTVCGZGRT-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.13
Rot. Bonds1

About N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20920688) has the molecular formula C14H11BrFN3OS and a molecular weight of 368.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID20920688
Molecular FormulaC14H11BrFN3OS
Molecular Weight368.23 g/mol
Exact Mass366.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)N1CCSc2ncccc21
InChIInChI=1S/C14H11BrFN3OS/c15-9-3-4-11(10(16)8-9)18-14(20)19-6-7-21-13-12(19)2-1-5-17-13/h1-5,8H,6-7H2,(H,18,20)
InChIKeyGBUOJUTVCGZGRT-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20920688) is N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is O=C(Nc1ccc(Br)cc1F)N1CCSc2ncccc21.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is GBUOJUTVCGZGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3OS/c15-9-3-4-11(10(16)8-9)18-14(20)19-6-7-21-13-12(19)2-1-5-17-13/h1-5,8H,6-7H2,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 368.23 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20920688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).