10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine

C14H10N2S — CID 1483729

IUPAC10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine
SMILESC#CCN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C14H10N2S/c1-2-10-16-11-6-3-4-7-12(11)17-13-8-5-9-15-14(13)16/h1,3-9H,10H2
InChIKeyUKEFQPMJYGFDRU-UHFFFAOYSA-N
MW238.32 g/mol
LogP3.32
Rot. Bonds1

About 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine

10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine (PubChem CID 1483729) has the molecular formula C14H10N2S and a molecular weight of 238.32 g/mol. Its IUPAC name is 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine
PubChem CID1483729
Molecular FormulaC14H10N2S
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Name10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine
SMILESC#CCN1c2ccccc2Sc2cccnc21
InChIInChI=1S/C14H10N2S/c1-2-10-16-11-6-3-4-7-12(11)17-13-8-5-9-15-14(13)16/h1,3-9H,10H2
InChIKeyUKEFQPMJYGFDRU-UHFFFAOYSA-N
XLogP3.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine 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 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine?
The IUPAC name of 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine (CID 1483729) is 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine?
The canonical SMILES for 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine is C#CCN1c2ccccc2Sc2cccnc21.
What is the InChIKey of 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine?
The InChIKey is UKEFQPMJYGFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c1-2-10-16-11-6-3-4-7-12(11)17-13-8-5-9-15-14(13)16/h1,3-9H,10H2.
What are the key properties of 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine?
10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine has a molecular weight of 238.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-prop-2-ynylpyrido[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 1483729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).