2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

C18H13F4N5S — CID 71543932

IUPAC2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCn1cc(-c2nccs2)nc1CCc1nc(C(F)(F)F)c2cccc(F)c2n1
InChIInChI=1S/C18H13F4N5S/c1-27-9-12(17-23-7-8-28-17)24-14(27)6-5-13-25-15-10(3-2-4-11(15)19)16(26-13)18(20,21)22/h2-4,7-9H,5-6H2,1H3
InChIKeyNVSKBERDPMMXIY-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.43
Rot. Bonds4

About 2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 71543932) has the molecular formula C18H13F4N5S and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID71543932
Molecular FormulaC18H13F4N5S
Molecular Weight407.40 g/mol
Exact Mass407.08
IUPAC Name2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCn1cc(-c2nccs2)nc1CCc1nc(C(F)(F)F)c2cccc(F)c2n1
InChIInChI=1S/C18H13F4N5S/c1-27-9-12(17-23-7-8-28-17)24-14(27)6-5-13-25-15-10(3-2-4-11(15)19)16(26-13)18(20,21)22/h2-4,7-9H,5-6H2,1H3
InChIKeyNVSKBERDPMMXIY-UHFFFAOYSA-N
XLogP4.43
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 71543932) is 2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is Cn1cc(-c2nccs2)nc1CCc1nc(C(F)(F)F)c2cccc(F)c2n1.
What is the InChIKey of 2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is NVSKBERDPMMXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N5S/c1-27-9-12(17-23-7-8-28-17)24-14(27)6-5-13-25-15-10(3-2-4-11(15)19)16(26-13)18(20,21)22/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 407.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[8-fluoro-4-(trifluoromethyl)quinazolin-2-yl]ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 71543932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).