8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine

C12H7F3N4S — CID 175958236

IUPAC8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine
SMILESNc1ncnc2c(-c3cnc(C(F)(F)F)s3)cccc12
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)11-17-4-8(20-11)6-2-1-3-7-9(6)18-5-19-10(7)16/h1-5H,(H2,16,18,19)
InChIKeyZWSGBRISHPQLMK-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.35
Rot. Bonds1

About 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine

8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine (PubChem CID 175958236) has the molecular formula C12H7F3N4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine.

Molecular Properties

Compound Name8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine
PubChem CID175958236
Molecular FormulaC12H7F3N4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine
SMILESNc1ncnc2c(-c3cnc(C(F)(F)F)s3)cccc12
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)11-17-4-8(20-11)6-2-1-3-7-9(6)18-5-19-10(7)16/h1-5H,(H2,16,18,19)
InChIKeyZWSGBRISHPQLMK-UHFFFAOYSA-N
XLogP3.35
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine?
The IUPAC name of 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine (CID 175958236) is 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine.
What is the SMILES notation for 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine?
The canonical SMILES for 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine is Nc1ncnc2c(-c3cnc(C(F)(F)F)s3)cccc12.
What is the InChIKey of 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine?
The InChIKey is ZWSGBRISHPQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S/c13-12(14,15)11-17-4-8(20-11)6-2-1-3-7-9(6)18-5-19-10(7)16/h1-5H,(H2,16,18,19).
What are the key properties of 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine?
8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine has a molecular weight of 296.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine is sourced from PubChem (CID 175958236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).