2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine

C17H14F3N3S — CID 22932703

IUPAC2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
SMILESCCc1nc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccn2)s1
InChIInChI=1S/C17H14F3N3S/c1-2-14-23-15(11-6-5-7-12(10-11)17(18,19)20)16(24-14)22-13-8-3-4-9-21-13/h3-10H,2H2,1H3,(H,21,22)
InChIKeyPJWFTHTXNVYUSK-UHFFFAOYSA-N
MW349.38 g/mol
LogP5.53
Rot. Bonds4

About 2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine

2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine (PubChem CID 22932703) has the molecular formula C17H14F3N3S and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
PubChem CID22932703
Molecular FormulaC17H14F3N3S
Molecular Weight349.38 g/mol
Exact Mass349.09
IUPAC Name2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
SMILESCCc1nc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccn2)s1
InChIInChI=1S/C17H14F3N3S/c1-2-14-23-15(11-6-5-7-12(10-11)17(18,19)20)16(24-14)22-13-8-3-4-9-21-13/h3-10H,2H2,1H3,(H,21,22)
InChIKeyPJWFTHTXNVYUSK-UHFFFAOYSA-N
XLogP5.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 19381152
N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 44605400
N-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 18506812
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264902
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60981806
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841335
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327
5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25127463
5-[2-[6-(ethylamino)-3-pyridinyl]ethynyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 58513514

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
The IUPAC name of 2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine (CID 22932703) is 2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine is CCc1nc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccn2)s1.
What is the InChIKey of 2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
The InChIKey is PJWFTHTXNVYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3S/c1-2-14-23-15(11-6-5-7-12(10-11)17(18,19)20)16(24-14)22-13-8-3-4-9-21-13/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of 2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine has a molecular weight of 349.38 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 22932703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).