N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C12H12F3N3OS — CID 115922153

IUPACN-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC(Nc1ccc(OCC(F)(F)F)nc1)c1cncs1
InChIInChI=1S/C12H12F3N3OS/c1-8(10-5-16-7-20-10)18-9-2-3-11(17-4-9)19-6-12(13,14)15/h2-5,7-8,18H,6H2,1H3
InChIKeyUJQZHSFMERXKOS-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.65
Rot. Bonds5

About N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 115922153) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID115922153
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC NameN-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC(Nc1ccc(OCC(F)(F)F)nc1)c1cncs1
InChIInChI=1S/C12H12F3N3OS/c1-8(10-5-16-7-20-10)18-9-2-3-11(17-4-9)19-6-12(13,14)15/h2-5,7-8,18H,6H2,1H3
InChIKeyUJQZHSFMERXKOS-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 107353984
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677189
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115922548
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761
N-(3-propan-2-ylcyclobutyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 103561117
3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917806
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
CID 61063335
(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide
CID 94641374
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 115922153) is N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is CC(Nc1ccc(OCC(F)(F)F)nc1)c1cncs1.
What is the InChIKey of N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is UJQZHSFMERXKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c1-8(10-5-16-7-20-10)18-9-2-3-11(17-4-9)19-6-12(13,14)15/h2-5,7-8,18H,6H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 303.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 115922153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).