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

C15H14ClFN2S — CID 61495698

IUPAC4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(Cc1c(F)cccc1Cl)CCS2
InChIInChI=1S/C15H14ClFN2S/c16-12-2-1-3-13(17)11(12)9-19-6-7-20-15-5-4-10(18)8-14(15)19/h1-5,8H,6-7,9,18H2
InChIKeyVEUCGWIZPGZPRV-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.17
Rot. Bonds2

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

4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine (PubChem CID 61495698) has the molecular formula C15H14ClFN2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
PubChem CID61495698
Molecular FormulaC15H14ClFN2S
Molecular Weight308.81 g/mol
Exact Mass308.06
IUPAC Name4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
SMILESNc1ccc2c(c1)N(Cc1c(F)cccc1Cl)CCS2
InChIInChI=1S/C15H14ClFN2S/c16-12-2-1-3-13(17)11(12)9-19-6-7-20-15-5-4-10(18)8-14(15)19/h1-5,8H,6-7,9,18H2
InChIKeyVEUCGWIZPGZPRV-UHFFFAOYSA-N
XLogP4.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.17
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-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine (CID 61495698) is 4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine is Nc1ccc2c(c1)N(Cc1c(F)cccc1Cl)CCS2.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
The InChIKey is VEUCGWIZPGZPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2S/c16-12-2-1-3-13(17)11(12)9-19-6-7-20-15-5-4-10(18)8-14(15)19/h1-5,8H,6-7,9,18H2.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine?
4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine has a molecular weight of 308.81 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine is sourced from PubChem (CID 61495698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).