1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine

C19H15N5O2S — CID 59276492

IUPAC1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine
SMILESO=S1(=O)NCc2ccc(Nc3nc4cccc(-c5ccccc5)n4n3)cc21
InChIInChI=1S/C19H15N5O2S/c25-27(26)17-11-15(10-9-14(17)12-20-27)21-19-22-18-8-4-7-16(24(18)23-19)13-5-2-1-3-6-13/h1-11,20H,12H2,(H,21,23)
InChIKeyMKQUQDUMMLIMNX-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.93
Rot. Bonds3

About 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine

1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine (PubChem CID 59276492) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine
PubChem CID59276492
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine
SMILESO=S1(=O)NCc2ccc(Nc3nc4cccc(-c5ccccc5)n4n3)cc21
InChIInChI=1S/C19H15N5O2S/c25-27(26)17-11-15(10-9-14(17)12-20-27)21-19-22-18-8-4-7-16(24(18)23-19)13-5-2-1-3-6-13/h1-11,20H,12H2,(H,21,23)
InChIKeyMKQUQDUMMLIMNX-UHFFFAOYSA-N
XLogP2.93
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine?
The IUPAC name of 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine (CID 59276492) is 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine.
What is the SMILES notation for 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine?
The canonical SMILES for 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine is O=S1(=O)NCc2ccc(Nc3nc4cccc(-c5ccccc5)n4n3)cc21.
What is the InChIKey of 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine?
The InChIKey is MKQUQDUMMLIMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-27(26)17-11-15(10-9-14(17)12-20-27)21-19-22-18-8-4-7-16(24(18)23-19)13-5-2-1-3-6-13/h1-11,20H,12H2,(H,21,23).
What are the key properties of 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine?
1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine has a molecular weight of 377.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dihydro-1,2-benzothiazol-6-amine is sourced from PubChem (CID 59276492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).