4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine

C17H20N2S — CID 61481917

IUPAC4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESCc1ccc(C)c(CN2CCSc3ccc(N)cc32)c1
InChIInChI=1S/C17H20N2S/c1-12-3-4-13(2)14(9-12)11-19-7-8-20-17-6-5-15(18)10-16(17)19/h3-6,9-10H,7-8,11,18H2,1-2H3
InChIKeyHEYKIFNRPIBIDW-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.00
Rot. Bonds2

About 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine

4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine (PubChem CID 61481917) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
PubChem CID61481917
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESCc1ccc(C)c(CN2CCSc3ccc(N)cc32)c1
InChIInChI=1S/C17H20N2S/c1-12-3-4-13(2)14(9-12)11-19-7-8-20-17-6-5-15(18)10-16(17)19/h3-6,9-10H,7-8,11,18H2,1-2H3
InChIKeyHEYKIFNRPIBIDW-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The IUPAC name of 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine (CID 61481917) is 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine is Cc1ccc(C)c(CN2CCSc3ccc(N)cc32)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The InChIKey is HEYKIFNRPIBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12-3-4-13(2)14(9-12)11-19-7-8-20-17-6-5-15(18)10-16(17)19/h3-6,9-10H,7-8,11,18H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine has a molecular weight of 284.43 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine is sourced from PubChem (CID 61481917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).