4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine

C17H18F3N3S — CID 143328587

IUPAC4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)Cc1cccc(CNC2NC(C3=CCCN=C3)=CS2)c1
InChIInChI=1S/C17H18F3N3S/c18-17(19,20)8-12-3-1-4-13(7-12)9-22-16-23-15(11-24-16)14-5-2-6-21-10-14/h1,3-5,7,10-11,16,22-23H,2,6,8-9H2
InChIKeyYDXKKIFWSZXFNY-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.74
Rot. Bonds5

About 4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine

4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine (PubChem CID 143328587) has the molecular formula C17H18F3N3S and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine
PubChem CID143328587
Molecular FormulaC17H18F3N3S
Molecular Weight353.41 g/mol
Exact Mass353.12
IUPAC Name4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)Cc1cccc(CNC2NC(C3=CCCN=C3)=CS2)c1
InChIInChI=1S/C17H18F3N3S/c18-17(19,20)8-12-3-1-4-13(7-12)9-22-16-23-15(11-24-16)14-5-2-6-21-10-14/h1,3-5,7,10-11,16,22-23H,2,6,8-9H2
InChIKeyYDXKKIFWSZXFNY-UHFFFAOYSA-N
XLogP3.74
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine (CID 143328587) is 4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine is FC(F)(F)Cc1cccc(CNC2NC(C3=CCCN=C3)=CS2)c1.
What is the InChIKey of 4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine?
The InChIKey is YDXKKIFWSZXFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3S/c18-17(19,20)8-12-3-1-4-13(7-12)9-22-16-23-15(11-24-16)14-5-2-6-21-10-14/h1,3-5,7,10-11,16,22-23H,2,6,8-9H2.
What are the key properties of 4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine?
4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine has a molecular weight of 353.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyridin-5-yl)-N-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]-2,3-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 143328587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).