4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine

C18H15NOS — CID 10541761

IUPAC4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine
SMILESCOc1ccc(C2Sc3ccccc3-n3cccc32)cc1
InChIInChI=1S/C18H15NOS/c1-20-14-10-8-13(9-11-14)18-16-6-4-12-19(16)15-5-2-3-7-17(15)21-18/h2-12,18H,1H3
InChIKeyYMIXJSCCOUOPPZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.68
Rot. Bonds2

About 4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine

4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine (PubChem CID 10541761) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine
PubChem CID10541761
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine
SMILESCOc1ccc(C2Sc3ccccc3-n3cccc32)cc1
InChIInChI=1S/C18H15NOS/c1-20-14-10-8-13(9-11-14)18-16-6-4-12-19(16)15-5-2-3-7-17(15)21-18/h2-12,18H,1H3
InChIKeyYMIXJSCCOUOPPZ-UHFFFAOYSA-N
XLogP4.68
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine?
The IUPAC name of 4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine (CID 10541761) is 4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine.
What is the SMILES notation for 4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine?
The canonical SMILES for 4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine is COc1ccc(C2Sc3ccccc3-n3cccc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine?
The InChIKey is YMIXJSCCOUOPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-20-14-10-8-13(9-11-14)18-16-6-4-12-19(16)15-5-2-3-7-17(15)21-18/h2-12,18H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine?
4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine has a molecular weight of 293.39 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine is sourced from PubChem (CID 10541761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).