11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine

C19H17NS — CID 139472248

IUPAC11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine
SMILESC1=CCC2C(C=C1)Sc1ccccc1N2c1ccccc1
InChIInChI=1S/C19H17NS/c1-3-9-15(10-4-1)20-16-11-5-2-6-13-18(16)21-19-14-8-7-12-17(19)20/h1-10,12-14,16,18H,11H2
InChIKeyWGADIBJCRVSZRZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.18
Rot. Bonds1

About 11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine

11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine (PubChem CID 139472248) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine.

Molecular Properties

Compound Name11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine
PubChem CID139472248
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine
SMILESC1=CCC2C(C=C1)Sc1ccccc1N2c1ccccc1
InChIInChI=1S/C19H17NS/c1-3-9-15(10-4-1)20-16-11-5-2-6-13-18(16)21-19-14-8-7-12-17(19)20/h1-10,12-14,16,18H,11H2
InChIKeyWGADIBJCRVSZRZ-UHFFFAOYSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-phenyl-4a,10a-dihydrophenothiazine
CID 148719639
10-phenyl-1,10a-dihydrophenoxazine
CID 126627487
10-phenyl-8-(4-triphenylen-2-ylsulfonylphenyl)-4a,10a-dihydrophenothiazine
CID 163848503
3-(4a,10a-dihydrophenothiazin-10-yl)propanoic acid
CID 59928109
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-3-phenyl-1,2-dihydrobenzimidazole;ethane
CID 143688496
10-cyclohexa-2,4-dien-1-yl-2-iodo-5-phenylphenazine
CID 70902512
10-(2-methylcyclopropyl)phenothiazine
CID 59112633
1-(4a,10a-dihydrophenothiazin-10-yl)-N,N-dimethylpropan-2-amine;oxalic acid
CID 174754364
1-[(4aS,10aS)-4a,10a-dihydrophenothiazin-10-yl]-2-chloroethanone
CID 736382
2-cyclohexa-2,4-dien-1-ylethynylbenzene
CID 15394474
2-(9-cyclohexa-2,4-dien-1-yl-1,2,4a,9a-tetrahydrocarbazol-2-yl)-9-phenyl-4a,9a-dihydrocarbazole
CID 134390780
9-cyclohexa-2,4-dien-1-yl-9H-thioxanthene
CID 155239563

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine?
The IUPAC name of 11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine (CID 139472248) is 11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine.
What is the SMILES notation for 11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine?
The canonical SMILES for 11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine is C1=CCC2C(C=C1)Sc1ccccc1N2c1ccccc1.
What is the InChIKey of 11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine?
The InChIKey is WGADIBJCRVSZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-3-9-15(10-4-1)20-16-11-5-2-6-13-18(16)21-19-14-8-7-12-17(19)20/h1-10,12-14,16,18H,11H2.
What are the key properties of 11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine?
11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine has a molecular weight of 291.42 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-10,10a-dihydro-5aH-cyclohepta[b][1,4]benzothiazine is sourced from PubChem (CID 139472248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).