8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine

C10H6ClN3S — CID 171384015

IUPAC8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine
SMILESClc1ccc2c(c1)Nc1ncncc1S2
InChIInChI=1S/C10H6ClN3S/c11-6-1-2-8-7(3-6)14-10-9(15-8)4-12-5-13-10/h1-5H,(H,12,13,14)
InChIKeyIYWFTMLAERSGIZ-UHFFFAOYSA-N
MW235.70 g/mol
LogP3.34
Rot. Bonds

About 8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine

8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine (PubChem CID 171384015) has the molecular formula C10H6ClN3S and a molecular weight of 235.70 g/mol. Its IUPAC name is 8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine.

Molecular Properties

Compound Name8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine
PubChem CID171384015
Molecular FormulaC10H6ClN3S
Molecular Weight235.70 g/mol
Exact Mass235.00
IUPAC Name8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine
SMILESClc1ccc2c(c1)Nc1ncncc1S2
InChIInChI=1S/C10H6ClN3S/c11-6-1-2-8-7(3-6)14-10-9(15-8)4-12-5-13-10/h1-5H,(H,12,13,14)
InChIKeyIYWFTMLAERSGIZ-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine?
The IUPAC name of 8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine (CID 171384015) is 8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine.
What is the SMILES notation for 8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine?
The canonical SMILES for 8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine is Clc1ccc2c(c1)Nc1ncncc1S2.
What is the InChIKey of 8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine?
The InChIKey is IYWFTMLAERSGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S/c11-6-1-2-8-7(3-6)14-10-9(15-8)4-12-5-13-10/h1-5H,(H,12,13,14).
What are the key properties of 8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine?
8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine has a molecular weight of 235.70 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-10H-pyrimido[5,4-b][1,4]benzothiazine is sourced from PubChem (CID 171384015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).