(2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone

C17H17N5OS — CID 75477485

IUPAC(2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
SMILESCC1Sc2ccccc2N(C(=O)c2cnc3c(c2)nnn3C)C1C
InChIInChI=1S/C17H17N5OS/c1-10-11(2)24-15-7-5-4-6-14(15)22(10)17(23)12-8-13-16(18-9-12)21(3)20-19-13/h4-11H,1-3H3
InChIKeyHHLZSVPDXROYFU-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.89
Rot. Bonds1

About (2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone

(2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone (PubChem CID 75477485) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is (2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
PubChem CID75477485
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name(2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
SMILESCC1Sc2ccccc2N(C(=O)c2cnc3c(c2)nnn3C)C1C
InChIInChI=1S/C17H17N5OS/c1-10-11(2)24-15-7-5-4-6-14(15)22(10)17(23)12-8-13-16(18-9-12)21(3)20-19-13/h4-11H,1-3H3
InChIKeyHHLZSVPDXROYFU-UHFFFAOYSA-N
XLogP2.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of (2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone (CID 75477485) is (2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for (2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for (2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone is CC1Sc2ccccc2N(C(=O)c2cnc3c(c2)nnn3C)C1C.
What is the InChIKey of (2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is HHLZSVPDXROYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-10-11(2)24-15-7-5-4-6-14(15)22(10)17(23)12-8-13-16(18-9-12)21(3)20-19-13/h4-11H,1-3H3.
What are the key properties of (2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone?
(2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 339.42 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 75477485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).