N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine

C15H14N2S — CID 2999727

IUPACN-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine
SMILESCc1ccc(NC2=Nc3ccccc3CS2)cc1
InChIInChI=1S/C15H14N2S/c1-11-6-8-13(9-7-11)16-15-17-14-5-3-2-4-12(14)10-18-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyWAIDGCCWBIIWOI-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.34
Rot. Bonds1

About N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine

N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine (PubChem CID 2999727) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine
PubChem CID2999727
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine
SMILESCc1ccc(NC2=Nc3ccccc3CS2)cc1
InChIInChI=1S/C15H14N2S/c1-11-6-8-13(9-7-11)16-15-17-14-5-3-2-4-12(14)10-18-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyWAIDGCCWBIIWOI-UHFFFAOYSA-N
XLogP4.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine (CID 2999727) is N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine is Cc1ccc(NC2=Nc3ccccc3CS2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine?
The InChIKey is WAIDGCCWBIIWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-6-8-13(9-7-11)16-15-17-14-5-3-2-4-12(14)10-18-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine?
N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine has a molecular weight of 254.36 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 2999727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).