4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine

C18H19F3N6OS2 — CID 60608816

IUPAC4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
SMILESFC(F)(F)Cn1c(SCc2csc(Nc3ccccc3)n2)nnc1N1CCOCC1
InChIInChI=1S/C18H19F3N6OS2/c19-18(20,21)12-27-16(26-6-8-28-9-7-26)24-25-17(27)30-11-14-10-29-15(23-14)22-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H,22,23)
InChIKeyAFNKPMGWEJZYAD-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.17
Rot. Bonds7

About 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine

4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 60608816) has the molecular formula C18H19F3N6OS2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID60608816
Molecular FormulaC18H19F3N6OS2
Molecular Weight456.52 g/mol
Exact Mass456.10
IUPAC Name4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
SMILESFC(F)(F)Cn1c(SCc2csc(Nc3ccccc3)n2)nnc1N1CCOCC1
InChIInChI=1S/C18H19F3N6OS2/c19-18(20,21)12-27-16(26-6-8-28-9-7-26)24-25-17(27)30-11-14-10-29-15(23-14)22-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H,22,23)
InChIKeyAFNKPMGWEJZYAD-UHFFFAOYSA-N
XLogP4.17
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(3-Methoxy-propyl)-5-(2-phenylamino-thiazol-4-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 3190566
2-[5-[2-(4-Fluoro-phenylamino)-thiazol-4-ylmethyl]-4-(3-methoxy-propyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 3190574
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine iodide
CID 2730126
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine
CID 2730127
Methyl 2-[[5-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 1431823
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17447696
N-(2-fluorophenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 25574337
4-fluoro-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]aniline
CID 68500319
4-fluoro-N-[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethyl]aniline
CID 68803857
2-[4-(Difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)oxymethyl]piperidin-1-yl]ethanamine
CID 164530282
2-[[5-[[2-(4-Fluoroanilino)-1,3-thiazol-4-yl]methyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3380389
4-[4-(3-Fluorophenyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]morpholine
CID 8199361

Frequently Asked Questions

What is the IUPAC name of 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine (CID 60608816) is 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine is FC(F)(F)Cn1c(SCc2csc(Nc3ccccc3)n2)nnc1N1CCOCC1.
What is the InChIKey of 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is AFNKPMGWEJZYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6OS2/c19-18(20,21)12-27-16(26-6-8-28-9-7-26)24-25-17(27)30-11-14-10-29-15(23-14)22-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H,22,23).
What are the key properties of 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 456.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-morpholin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 60608816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).