2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C14H14F2N2OS — CID 62078097

IUPAC2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(-c3ccccc3OC(F)F)sc21
InChIInChI=1S/C14H14F2N2OS/c15-14(16)19-11-7-2-1-4-8(11)13-18-10-6-3-5-9(17)12(10)20-13/h1-2,4,7,9,14H,3,5-6,17H2
InChIKeyAOFOEPVUWNZJBQ-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.75
Rot. Bonds3

About 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62078097) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62078097
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC Name2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(-c3ccccc3OC(F)F)sc21
InChIInChI=1S/C14H14F2N2OS/c15-14(16)19-11-7-2-1-4-8(11)13-18-10-6-3-5-9(17)12(10)20-13/h1-2,4,7,9,14H,3,5-6,17H2
InChIKeyAOFOEPVUWNZJBQ-UHFFFAOYSA-N
XLogP3.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62078097) is 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(-c3ccccc3OC(F)F)sc21.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is AOFOEPVUWNZJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c15-14(16)19-11-7-2-1-4-8(11)13-18-10-6-3-5-9(17)12(10)20-13/h1-2,4,7,9,14H,3,5-6,17H2.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 296.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62078097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).