4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine

C14H15ClN4OS — CID 3066390

IUPAC4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine
SMILESClc1ccc2c(c1)-n1c(nnc1CN1CCOCC1)CS2
InChIInChI=1S/C14H15ClN4OS/c15-10-1-2-12-11(7-10)19-13(16-17-14(19)9-21-12)8-18-3-5-20-6-4-18/h1-2,7H,3-6,8-9H2
InChIKeyYOXZMLSYCCTZFT-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.36
Rot. Bonds2

About 4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine

4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine (PubChem CID 3066390) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine
PubChem CID3066390
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine
SMILESClc1ccc2c(c1)-n1c(nnc1CN1CCOCC1)CS2
InChIInChI=1S/C14H15ClN4OS/c15-10-1-2-12-11(7-10)19-13(16-17-14(19)9-21-12)8-18-3-5-20-6-4-18/h1-2,7H,3-6,8-9H2
InChIKeyYOXZMLSYCCTZFT-UHFFFAOYSA-N
XLogP2.36
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine?
The IUPAC name of 4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine (CID 3066390) is 4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine is Clc1ccc2c(c1)-n1c(nnc1CN1CCOCC1)CS2.
What is the InChIKey of 4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine?
The InChIKey is YOXZMLSYCCTZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c15-10-1-2-12-11(7-10)19-13(16-17-14(19)9-21-12)8-18-3-5-20-6-4-18/h1-2,7H,3-6,8-9H2.
What are the key properties of 4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine?
4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine has a molecular weight of 322.82 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]morpholine is sourced from PubChem (CID 3066390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).