N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C12H10F3N3OS — CID 107304767

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)10-17-11(20-18-10)16-6-8-5-7-3-1-2-4-9(7)19-8/h1-4,8H,5-6H2,(H,16,17,18)
InChIKeyGMDXDTKCKRLRJR-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.97
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304767) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304767
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)10-17-11(20-18-10)16-6-8-5-7-3-1-2-4-9(7)19-8/h1-4,8H,5-6H2,(H,16,17,18)
InChIKeyGMDXDTKCKRLRJR-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169646
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82722611
3-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazin-2-amine
CID 62234283
N-[(2-ethylphenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304994
methyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569197
1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-phenylbenzene-1,4-diamine
CID 110179031
1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363875
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine
CID 78988897
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 62233384

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304767) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCC2Cc3ccccc3O2)n1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GMDXDTKCKRLRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c13-12(14,15)10-17-11(20-18-10)16-6-8-5-7-3-1-2-4-9(7)19-8/h1-4,8H,5-6H2,(H,16,17,18).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 301.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).