[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine

C11H13F3N2S — CID 84638796

IUPAC[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine
SMILESCN1c2ccc(C(F)(F)F)cc2SCC1CN
InChIInChI=1S/C11H13F3N2S/c1-16-8(5-15)6-17-10-4-7(11(12,13)14)2-3-9(10)16/h2-4,8H,5-6,15H2,1H3
InChIKeyIIYQEIDDORUPCB-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.57
Rot. Bonds1

About [4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine

[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine (PubChem CID 84638796) has the molecular formula C11H13F3N2S and a molecular weight of 262.30 g/mol. Its IUPAC name is [4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine
PubChem CID84638796
Molecular FormulaC11H13F3N2S
Molecular Weight262.30 g/mol
Exact Mass262.08
IUPAC Name[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine
SMILESCN1c2ccc(C(F)(F)F)cc2SCC1CN
InChIInChI=1S/C11H13F3N2S/c1-16-8(5-15)6-17-10-4-7(11(12,13)14)2-3-9(10)16/h2-4,8H,5-6,15H2,1H3
InChIKeyIIYQEIDDORUPCB-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine?
The IUPAC name of [4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine (CID 84638796) is [4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine?
The canonical SMILES for [4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine is CN1c2ccc(C(F)(F)F)cc2SCC1CN.
What is the InChIKey of [4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine?
The InChIKey is IIYQEIDDORUPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2S/c1-16-8(5-15)6-17-10-4-7(11(12,13)14)2-3-9(10)16/h2-4,8H,5-6,15H2,1H3.
What are the key properties of [4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine?
[4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine has a molecular weight of 262.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazin-3-yl]methanamine is sourced from PubChem (CID 84638796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).