6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

C18H11F3N4S — CID 118736900

IUPAC6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(Nc2ncnc3ccc(-c4cncs4)cc23)c1
InChIInChI=1S/C18H11F3N4S/c19-18(20,21)12-2-1-3-13(7-12)25-17-14-6-11(16-8-22-10-26-16)4-5-15(14)23-9-24-17/h1-10H,(H,23,24,25)
InChIKeyGDJPSUNLWNVYIH-UHFFFAOYSA-N
MW372.38 g/mol
LogP5.52
Rot. Bonds3

About 6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine

6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 118736900) has the molecular formula C18H11F3N4S and a molecular weight of 372.38 g/mol. Its IUPAC name is 6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID118736900
Molecular FormulaC18H11F3N4S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC Name6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(Nc2ncnc3ccc(-c4cncs4)cc23)c1
InChIInChI=1S/C18H11F3N4S/c19-18(20,21)12-2-1-3-13(7-12)25-17-14-6-11(16-8-22-10-26-16)4-5-15(14)23-9-24-17/h1-10H,(H,23,24,25)
InChIKeyGDJPSUNLWNVYIH-UHFFFAOYSA-N
XLogP5.52
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Timegadine
CID 68902
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
N-(3,5-dimethylphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9856983
5-methyl-N-(2-phenylquinazolin-4-yl)thiazol-2-amine
CID 10236668
2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10358578
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-(4-trifluoromethyl-phenyl)-amine
CID 11428427
N-(5-(trifluoromethyl)pyridin-2-yl)-7-(5-(trifluoromethyl)thiazol-4-yl)-1,8-naphthyridin-4-amine
CID 11510499
(S)-N1-(5-(3-aminoisoquinolin-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654594
N-(3,5-dimethylphenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine
CID 44590204
(S)-N1-(5-(quinazolin-7-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880330
(S)-N1-(5-(cinnolin-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880370

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 118736900) is 6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1cccc(Nc2ncnc3ccc(-c4cncs4)cc23)c1.
What is the InChIKey of 6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is GDJPSUNLWNVYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4S/c19-18(20,21)12-2-1-3-13(7-12)25-17-14-6-11(16-8-22-10-26-16)4-5-15(14)23-9-24-17/h1-10H,(H,23,24,25).
What are the key properties of 6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine?
6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 372.38 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-5-yl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 118736900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).