N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

C16H14F3N3O2S — CID 86845320

IUPACN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESFC(F)(F)COc1ccc(CNCc2csc(-c3ccco3)n2)cn1
InChIInChI=1S/C16H14F3N3O2S/c17-16(18,19)10-24-14-4-3-11(7-21-14)6-20-8-12-9-25-15(22-12)13-2-1-5-23-13/h1-5,7,9,20H,6,8,10H2
InChIKeyRSLLQQASRDVLDN-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.03
Rot. Bonds7

About N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (PubChem CID 86845320) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
PubChem CID86845320
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC NameN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESFC(F)(F)COc1ccc(CNCc2csc(-c3ccco3)n2)cn1
InChIInChI=1S/C16H14F3N3O2S/c17-16(18,19)10-24-14-4-3-11(7-21-14)6-20-8-12-9-25-15(22-12)13-2-1-5-23-13/h1-5,7,9,20H,6,8,10H2
InChIKeyRSLLQQASRDVLDN-UHFFFAOYSA-N
XLogP4.03
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine with MolForge

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Related Compounds

4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 883342
2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1243722
N-(2-furylmethyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 2901964
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}furan-2-carboxamide
CID 5310118
5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310501
{[2-(5-Methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}(propan-2-yl)[(pyridin-2-yl)methyl]amine
CID 45913503
1-(Furan-2-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406734
N-(3-{[(2-furylmethyl)amino]carbonyl}-2-thienyl)nicotinamide
CID 1245068
2-(furan-2-yl)-4-phenyl-N'-(pyridine-2-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25616022
1-[2-[6-(2,2,2-Trifluoroethoxy)pyridin-3-yl]-1,3-thiazol-4-yl]ethanone
CID 2746913

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (CID 86845320) is N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is FC(F)(F)COc1ccc(CNCc2csc(-c3ccco3)n2)cn1.
What is the InChIKey of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The InChIKey is RSLLQQASRDVLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c17-16(18,19)10-24-14-4-3-11(7-21-14)6-20-8-12-9-25-15(22-12)13-2-1-5-23-13/h1-5,7,9,20H,6,8,10H2.
What are the key properties of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine has a molecular weight of 369.37 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 86845320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).