4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine

C22H21NS — CID 134916127

IUPAC4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine
SMILESCCN1c2ccccc2SC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H21NS/c1-2-23-19-15-9-10-16-20(19)24-22(18-13-7-4-8-14-18)21(23)17-11-5-3-6-12-17/h3-16,21-22H,2H2,1H3
InChIKeyFHJQEFBRNPBYMY-UHFFFAOYSA-N
MW331.48 g/mol
LogP6.10
Rot. Bonds3

About 4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine

4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine (PubChem CID 134916127) has the molecular formula C22H21NS and a molecular weight of 331.48 g/mol. Its IUPAC name is 4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine
PubChem CID134916127
Molecular FormulaC22H21NS
Molecular Weight331.48 g/mol
Exact Mass331.14
IUPAC Name4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine
SMILESCCN1c2ccccc2SC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H21NS/c1-2-23-19-15-9-10-16-20(19)24-22(18-13-7-4-8-14-18)21(23)17-11-5-3-6-12-17/h3-16,21-22H,2H2,1H3
InChIKeyFHJQEFBRNPBYMY-UHFFFAOYSA-N
XLogP6.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-2-phenyl-2H-1,3-benzothiazole
CID 162687849
1,4-diethyl-2,3,6-triphenyl-2,3-dihydroquinoxaline
CID 139250047
3-propyl-2H-1,3-benzothiazole-2-thiol
CID 152670089
3-benzyl-2-methyl-2H-1,3-benzothiazole;hydrobromide
CID 172789323
5-(2-methyl-2H-1,3-benzothiazol-3-yl)pentanoic acid
CID 174552873
ethyl 2-phenyl-2H-1,3-benzothiazole-3-carboxylate
CID 46894218
3-hexyl-2H-1,3-benzothiazole-2-thiol
CID 54483251
(2S,3R)-2-methyl-3-phenylthiirane
CID 134929070
2-chloro-1,3-diethyl-2H-benzimidazole
CID 69082202
1,3-diethyl-2-iodo-2H-benzimidazole
CID 67548155
3-prop-2-enyl-2-propyl-2H-1,3-benzothiazole
CID 173287101
3-ethyl-2-[7-(3-ethyl-2H-1,3-benzothiazol-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole
CID 57355481

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine (CID 134916127) is 4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine is CCN1c2ccccc2SC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine?
The InChIKey is FHJQEFBRNPBYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NS/c1-2-23-19-15-9-10-16-20(19)24-22(18-13-7-4-8-14-18)21(23)17-11-5-3-6-12-17/h3-16,21-22H,2H2,1H3.
What are the key properties of 4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine?
4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine has a molecular weight of 331.48 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-diphenyl-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 134916127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).