5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine

C13H12F3N3S — CID 120902333

IUPAC5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCc3c2cccc3C(F)(F)F)s1
InChIInChI=1S/C13H12F3N3S/c14-13(15,16)10-2-1-3-11-9(10)4-5-19(11)7-8-6-18-12(17)20-8/h1-3,6H,4-5,7H2,(H2,17,18)
InChIKeyIAUYJHFBHDYFAG-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.31
Rot. Bonds2

About 5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120902333) has the molecular formula C13H12F3N3S and a molecular weight of 299.32 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120902333
Molecular FormulaC13H12F3N3S
Molecular Weight299.32 g/mol
Exact Mass299.07
IUPAC Name5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCc3c2cccc3C(F)(F)F)s1
InChIInChI=1S/C13H12F3N3S/c14-13(15,16)10-2-1-3-11-9(10)4-5-19(11)7-8-6-18-12(17)20-8/h1-3,6H,4-5,7H2,(H2,17,18)
InChIKeyIAUYJHFBHDYFAG-UHFFFAOYSA-N
XLogP3.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine (CID 120902333) is 5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCc3c2cccc3C(F)(F)F)s1.
What is the InChIKey of 5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is IAUYJHFBHDYFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3S/c14-13(15,16)10-2-1-3-11-9(10)4-5-19(11)7-8-6-18-12(17)20-8/h1-3,6H,4-5,7H2,(H2,17,18).
What are the key properties of 5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 299.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).