2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline

C16H18N2O2S — CID 10266917

IUPAC2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1N)NCS2
InChIInChI=1S/C16H18N2O2S/c1-19-13-7-11-15(8-14(13)20-2)21-9-18-16(11)10-5-3-4-6-12(10)17/h3-8,16,18H,9,17H2,1-2H3
InChIKeyCFRCQQOYQSJGSS-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.03
Rot. Bonds3

About 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline

2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline (PubChem CID 10266917) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline
PubChem CID10266917
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1N)NCS2
InChIInChI=1S/C16H18N2O2S/c1-19-13-7-11-15(8-14(13)20-2)21-9-18-16(11)10-5-3-4-6-12(10)17/h3-8,16,18H,9,17H2,1-2H3
InChIKeyCFRCQQOYQSJGSS-UHFFFAOYSA-N
XLogP3.03
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
1-(4,5-dimethoxy-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-4,5-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 15362649
6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112511948
1-(3-ethyl-7,8-dimethoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)butan-1-one
CID 67694380
2-methoxyaniline;dihydrochloride
CID 69020746
(1S)-6,7-dimethoxy-1-(2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 761155
5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737138
6,7-dimethoxy-1-(2-nitrophenyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 23734961
(2S)-2-(4,5-dimethoxy-2-methylphenyl)aziridine
CID 55263982
2-chloro-4-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)pyrrolidine
CID 139798872
5-methoxy-2-(2-methoxyphenyl)piperidine
CID 105477691
3,3-diethyl-7-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-8-ol
CID 54429811

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline (CID 10266917) is 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline is COc1cc2c(cc1OC)C(c1ccccc1N)NCS2.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline?
The InChIKey is CFRCQQOYQSJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-19-13-7-11-15(8-14(13)20-2)21-9-18-16(11)10-5-3-4-6-12(10)17/h3-8,16,18H,9,17H2,1-2H3.
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline?
2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline has a molecular weight of 302.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-4-yl)aniline is sourced from PubChem (CID 10266917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).