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

C15H14F2N2S — CID 62197019

IUPAC4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(Cc1ccc(F)cc1F)CCS2
InChIInChI=1S/C15H14F2N2S/c16-11-2-1-10(13(17)7-11)9-19-5-6-20-15-4-3-12(18)8-14(15)19/h1-4,7-8H,5-6,9,18H2
InChIKeyFANJJNIUIPNESV-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.66
Rot. Bonds2

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

4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine (PubChem CID 62197019) has the molecular formula C15H14F2N2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
PubChem CID62197019
Molecular FormulaC15H14F2N2S
Molecular Weight292.35 g/mol
Exact Mass292.08
IUPAC Name4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(Cc1ccc(F)cc1F)CCS2
InChIInChI=1S/C15H14F2N2S/c16-11-2-1-10(13(17)7-11)9-19-5-6-20-15-4-3-12(18)8-14(15)19/h1-4,7-8H,5-6,9,18H2
InChIKeyFANJJNIUIPNESV-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.66
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-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine (CID 62197019) is 4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine is Nc1ccc2c(c1)N(Cc1ccc(F)cc1F)CCS2.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The InChIKey is FANJJNIUIPNESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2S/c16-11-2-1-10(13(17)7-11)9-19-5-6-20-15-4-3-12(18)8-14(15)19/h1-4,7-8H,5-6,9,18H2.
What are the key properties of 4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine has a molecular weight of 292.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine is sourced from PubChem (CID 62197019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).