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

C15H16F2N2OS — CID 62078602

IUPAC2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(-c3ccccc3OC(F)F)sc21
InChIInChI=1S/C15H16F2N2OS/c1-18-10-6-4-7-11-13(10)21-14(19-11)9-5-2-3-8-12(9)20-15(16)17/h2-3,5,8,10,15,18H,4,6-7H2,1H3
InChIKeyYXOUKALTFGLNRF-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.01
Rot. Bonds4

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

2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62078602) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62078602
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(-c3ccccc3OC(F)F)sc21
InChIInChI=1S/C15H16F2N2OS/c1-18-10-6-4-7-11-13(10)21-14(19-11)9-5-2-3-8-12(9)20-15(16)17/h2-3,5,8,10,15,18H,4,6-7H2,1H3
InChIKeyYXOUKALTFGLNRF-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.01
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]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62078602) is 2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(-c3ccccc3OC(F)F)sc21.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is YXOUKALTFGLNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c1-18-10-6-4-7-11-13(10)21-14(19-11)9-5-2-3-8-12(9)20-15(16)17/h2-3,5,8,10,15,18H,4,6-7H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 310.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62078602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).