6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one

C17H16N4OS — CID 154750877

IUPAC6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one
SMILESCc1ccn2c(CNc3ccc4c(c3)NC(=O)CS4)cnc2c1
InChIInChI=1S/C17H16N4OS/c1-11-4-5-21-13(9-19-16(21)6-11)8-18-12-2-3-15-14(7-12)20-17(22)10-23-15/h2-7,9,18H,8,10H2,1H3,(H,20,22)
InChIKeyRHJPBBUUKKZFTR-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.30
Rot. Bonds3

About 6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one

6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one (PubChem CID 154750877) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one
PubChem CID154750877
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one
SMILESCc1ccn2c(CNc3ccc4c(c3)NC(=O)CS4)cnc2c1
InChIInChI=1S/C17H16N4OS/c1-11-4-5-21-13(9-19-16(21)6-11)8-18-12-2-3-15-14(7-12)20-17(22)10-23-15/h2-7,9,18H,8,10H2,1H3,(H,20,22)
InChIKeyRHJPBBUUKKZFTR-UHFFFAOYSA-N
XLogP3.30
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one (CID 154750877) is 6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one is Cc1ccn2c(CNc3ccc4c(c3)NC(=O)CS4)cnc2c1.
What is the InChIKey of 6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one?
The InChIKey is RHJPBBUUKKZFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11-4-5-21-13(9-19-16(21)6-11)8-18-12-2-3-15-14(7-12)20-17(22)10-23-15/h2-7,9,18H,8,10H2,1H3,(H,20,22).
What are the key properties of 6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one?
6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one has a molecular weight of 324.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 154750877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).