1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C13H9F3N2OS — CID 106783218

IUPAC1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cc2ccccc2o1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H9F3N2OS/c14-13(15,16)12-18-6-10(20-12)11(17)9-5-7-3-1-2-4-8(7)19-9/h1-6,11H,17H2
InChIKeyFORSSCBEQQSPLZ-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.96
Rot. Bonds2

About 1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783218) has the molecular formula C13H9F3N2OS and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783218
Molecular FormulaC13H9F3N2OS
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC Name1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cc2ccccc2o1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H9F3N2OS/c14-13(15,16)12-18-6-10(20-12)11(17)9-5-7-3-1-2-4-8(7)19-9/h1-6,11H,17H2
InChIKeyFORSSCBEQQSPLZ-UHFFFAOYSA-N
XLogP3.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785774
quinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783220
quinolin-5-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785673
(4-methyl-3-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783767
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
CID 105044197
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
(4-bromo-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783780
1-benzofuran-2-yl(thiadiazol-4-yl)methanamine
CID 105184762
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
N-[(1R,2R)-2-(1-benzofuran-2-carbonylamino)cyclopentyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 167992347
1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
CID 106693169
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of 1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783218) is 1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for 1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1cc2ccccc2o1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FORSSCBEQQSPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2OS/c14-13(15,16)12-18-6-10(20-12)11(17)9-5-7-3-1-2-4-8(7)19-9/h1-6,11H,17H2.
What are the key properties of 1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 298.29 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).