2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H19FN2S — CID 107111642

IUPAC2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCc1cccc(-c2nc3c(s2)C(N)CC(C)(C)C3)c1F
InChIInChI=1S/C16H19FN2S/c1-9-5-4-6-10(13(9)17)15-19-12-8-16(2,3)7-11(18)14(12)20-15/h4-6,11H,7-8,18H2,1-3H3
InChIKeyAXFDTWXQSWFIAC-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.23
Rot. Bonds1

About 2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 107111642) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID107111642
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCc1cccc(-c2nc3c(s2)C(N)CC(C)(C)C3)c1F
InChIInChI=1S/C16H19FN2S/c1-9-5-4-6-10(13(9)17)15-19-12-8-16(2,3)7-11(18)14(12)20-15/h4-6,11H,7-8,18H2,1-3H3
InChIKeyAXFDTWXQSWFIAC-UHFFFAOYSA-N
XLogP4.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 107111642) is 2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is Cc1cccc(-c2nc3c(s2)C(N)CC(C)(C)C3)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is AXFDTWXQSWFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-9-5-4-6-10(13(9)17)15-19-12-8-16(2,3)7-11(18)14(12)20-15/h4-6,11H,7-8,18H2,1-3H3.
What are the key properties of 2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 290.41 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 107111642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).