1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine

C16H14F2N2S — CID 115524719

IUPAC1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C16H14F2N2S/c17-15(18)11-7-5-10(6-8-11)9-12(19)16-20-13-3-1-2-4-14(13)21-16/h1-8,12,15H,9,19H2
InChIKeyFGMHOHNKIIFWJD-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.48
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine

1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine (PubChem CID 115524719) has the molecular formula C16H14F2N2S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
PubChem CID115524719
Molecular FormulaC16H14F2N2S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C16H14F2N2S/c17-15(18)11-7-5-10(6-8-11)9-12(19)16-20-13-3-1-2-4-14(13)21-16/h1-8,12,15H,9,19H2
InChIKeyFGMHOHNKIIFWJD-UHFFFAOYSA-N
XLogP4.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethanamine
CID 43314644
1-(1,3-benzothiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 82384630
1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine
CID 43314623
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
1-(1,3-benzothiazol-2-yl)-2-(3-but-1-ynylphenyl)ethanamine
CID 168913459
1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 43314632
1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 43314618
2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride
CID 22284169
1-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)ethanamine
CID 174442420
1-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylethanamine
CID 79511944
2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine
CID 80702671
1-(1,3-benzothiazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 24699449

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine (CID 115524719) is 1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine is NC(Cc1ccc(C(F)F)cc1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine?
The InChIKey is FGMHOHNKIIFWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2S/c17-15(18)11-7-5-10(6-8-11)9-12(19)16-20-13-3-1-2-4-14(13)21-16/h1-8,12,15H,9,19H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine?
1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine has a molecular weight of 304.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 115524719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).