6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine

C17H15N3S — CID 141011061

IUPAC6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESc1cc(-c2c[nH]c(-c3ccc4c(c3)NCCS4)c2)ccn1
InChIInChI=1S/C17H15N3S/c1-2-17-16(19-7-8-21-17)9-13(1)15-10-14(11-20-15)12-3-5-18-6-4-12/h1-6,9-11,19-20H,7-8H2
InChIKeyFKBUARDHYGEVSL-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.26
Rot. Bonds2

About 6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine

6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 141011061) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID141011061
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESc1cc(-c2c[nH]c(-c3ccc4c(c3)NCCS4)c2)ccn1
InChIInChI=1S/C17H15N3S/c1-2-17-16(19-7-8-21-17)9-13(1)15-10-14(11-20-15)12-3-5-18-6-4-12/h1-6,9-11,19-20H,7-8H2
InChIKeyFKBUARDHYGEVSL-UHFFFAOYSA-N
XLogP4.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine (CID 141011061) is 6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine is c1cc(-c2c[nH]c(-c3ccc4c(c3)NCCS4)c2)ccn1.
What is the InChIKey of 6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is FKBUARDHYGEVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-2-17-16(19-7-8-21-17)9-13(1)15-10-14(11-20-15)12-3-5-18-6-4-12/h1-6,9-11,19-20H,7-8H2.
What are the key properties of 6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine?
6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 293.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 141011061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).