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

C15H16F2N2S — CID 62795813

IUPAC2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(-c3ccc(F)cc3F)sc2C(N)C1
InChIInChI=1S/C15H16F2N2S/c1-15(2)6-11(18)13-12(7-15)19-14(20-13)9-4-3-8(16)5-10(9)17/h3-5,11H,6-7,18H2,1-2H3
InChIKeyMZOJUSDJIMOAGC-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.06
Rot. Bonds1

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

2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62795813) has the molecular formula C15H16F2N2S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62795813
Molecular FormulaC15H16F2N2S
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(-c3ccc(F)cc3F)sc2C(N)C1
InChIInChI=1S/C15H16F2N2S/c1-15(2)6-11(18)13-12(7-15)19-14(20-13)9-4-3-8(16)5-10(9)17/h3-5,11H,6-7,18H2,1-2H3
InChIKeyMZOJUSDJIMOAGC-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62795813) is 2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CC1(C)Cc2nc(-c3ccc(F)cc3F)sc2C(N)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is MZOJUSDJIMOAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2S/c1-15(2)6-11(18)13-12(7-15)19-14(20-13)9-4-3-8(16)5-10(9)17/h3-5,11H,6-7,18H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 294.37 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62795813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).