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

C16H12F3N3S — CID 58791198

IUPACN-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1c(Nc2nc(-c3cccnc3)cs2)cccc1C(F)(F)F
InChIInChI=1S/C16H12F3N3S/c1-10-12(16(17,18)19)5-2-6-13(10)21-15-22-14(9-23-15)11-4-3-7-20-8-11/h2-9H,1H3,(H,21,22)
InChIKeyFQRYBYZILDQZQT-UHFFFAOYSA-N
MW335.35 g/mol
LogP5.28
Rot. Bonds3

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

N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 58791198) has the molecular formula C16H12F3N3S and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID58791198
Molecular FormulaC16H12F3N3S
Molecular Weight335.35 g/mol
Exact Mass335.07
IUPAC NameN-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1c(Nc2nc(-c3cccnc3)cs2)cccc1C(F)(F)F
InChIInChI=1S/C16H12F3N3S/c1-10-12(16(17,18)19)5-2-6-13(10)21-15-22-14(9-23-15)11-4-3-7-20-8-11/h2-9H,1H3,(H,21,22)
InChIKeyFQRYBYZILDQZQT-UHFFFAOYSA-N
XLogP5.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.35
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
methyl-oxo-[3-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]azanium
CID 89283179
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea
CID 57473566
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942
4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 56660116
N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791691

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 58791198) is N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1c(Nc2nc(-c3cccnc3)cs2)cccc1C(F)(F)F.
What is the InChIKey of N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is FQRYBYZILDQZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3S/c1-10-12(16(17,18)19)5-2-6-13(10)21-15-22-14(9-23-15)11-4-3-7-20-8-11/h2-9H,1H3,(H,21,22).
What are the key properties of N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 335.35 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58791198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).