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

C15H16F2N2OS — CID 61332672

IUPAC[2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
SMILESNC(c1nc2c(s1)CCCC2)c1ccccc1OC(F)F
InChIInChI=1S/C15H16F2N2OS/c16-15(17)20-11-7-3-1-5-9(11)13(18)14-19-10-6-2-4-8-12(10)21-14/h1,3,5,7,13,15H,2,4,6,8,18H2
InChIKeyCUEVJTZAXPMAEC-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.67
Rot. Bonds4

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

[2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (PubChem CID 61332672) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
PubChem CID61332672
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name[2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
SMILESNC(c1nc2c(s1)CCCC2)c1ccccc1OC(F)F
InChIInChI=1S/C15H16F2N2OS/c16-15(17)20-11-7-3-1-5-9(11)13(18)14-19-10-6-2-4-8-12(10)21-14/h1,3,5,7,13,15H,2,4,6,8,18H2
InChIKeyCUEVJTZAXPMAEC-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (CID 61332672) is [2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine is NC(c1nc2c(s1)CCCC2)c1ccccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The InChIKey is CUEVJTZAXPMAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c16-15(17)20-11-7-3-1-5-9(11)13(18)14-19-10-6-2-4-8-12(10)21-14/h1,3,5,7,13,15H,2,4,6,8,18H2.
What are the key properties of [2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
[2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine has a molecular weight of 310.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine is sourced from PubChem (CID 61332672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).