7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C14H19BrN4OS — CID 71157698

IUPAC7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCN1CCC(NCc2nc3c(cc2Br)SCC(=O)N3)CC1
InChIInChI=1S/C14H19BrN4OS/c1-19-4-2-9(3-5-19)16-7-11-10(15)6-12-14(17-11)18-13(20)8-21-12/h6,9,16H,2-5,7-8H2,1H3,(H,17,18,20)
InChIKeySKDFOPYABYSGMK-UHFFFAOYSA-N
MW371.30 g/mol
LogP2.07
Rot. Bonds3

About 7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 71157698) has the molecular formula C14H19BrN4OS and a molecular weight of 371.30 g/mol. Its IUPAC name is 7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID71157698
Molecular FormulaC14H19BrN4OS
Molecular Weight371.30 g/mol
Exact Mass370.05
IUPAC Name7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCN1CCC(NCc2nc3c(cc2Br)SCC(=O)N3)CC1
InChIInChI=1S/C14H19BrN4OS/c1-19-4-2-9(3-5-19)16-7-11-10(15)6-12-14(17-11)18-13(20)8-21-12/h6,9,16H,2-5,7-8H2,1H3,(H,17,18,20)
InChIKeySKDFOPYABYSGMK-UHFFFAOYSA-N
XLogP2.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 71157698) is 7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is CN1CCC(NCc2nc3c(cc2Br)SCC(=O)N3)CC1.
What is the InChIKey of 7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is SKDFOPYABYSGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4OS/c1-19-4-2-9(3-5-19)16-7-11-10(15)6-12-14(17-11)18-13(20)8-21-12/h6,9,16H,2-5,7-8H2,1H3,(H,17,18,20).
What are the key properties of 7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 371.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 71157698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).