4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline

C17H12F3N5OS — CID 24566912

IUPAC4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline
SMILESCCn1c(Sc2nc(C(F)(F)F)nc3ccccc23)nnc1-c1ccco1
InChIInChI=1S/C17H12F3N5OS/c1-2-25-13(12-8-5-9-26-12)23-24-16(25)27-14-10-6-3-4-7-11(10)21-15(22-14)17(18,19)20/h3-9H,2H2,1H3
InChIKeyUSSHXQHYWCPVED-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.67
Rot. Bonds4

About 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline

4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline (PubChem CID 24566912) has the molecular formula C17H12F3N5OS and a molecular weight of 391.38 g/mol. Its IUPAC name is 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline
PubChem CID24566912
Molecular FormulaC17H12F3N5OS
Molecular Weight391.38 g/mol
Exact Mass391.07
IUPAC Name4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline
SMILESCCn1c(Sc2nc(C(F)(F)F)nc3ccccc23)nnc1-c1ccco1
InChIInChI=1S/C17H12F3N5OS/c1-2-25-13(12-8-5-9-26-12)23-24-16(25)27-14-10-6-3-4-7-11(10)21-15(22-14)17(18,19)20/h3-9H,2H2,1H3
InChIKeyUSSHXQHYWCPVED-UHFFFAOYSA-N
XLogP4.67
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline with MolForge

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Related Compounds

4-ethyl-3-[(2-fluorophenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole
CID 955186
2-chloro-3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
CID 29383204
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethylazanium
CID 2428335
3-butylsulfanyl-4-ethyl-5-(furan-2-yl)-1,2,4-triazole
CID 78812877
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047370
2,3,5,6-tetrafluoro-4-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine
CID 133370869
5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 133427381
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3149091
naphthalen-1-ylmethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7359421
4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-ol
CID 110931317
N'-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-phenylacetohydrazide
CID 18159501
(2S)-3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanenitrile
CID 9466805

Frequently Asked Questions

What is the IUPAC name of 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline (CID 24566912) is 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline is CCn1c(Sc2nc(C(F)(F)F)nc3ccccc23)nnc1-c1ccco1.
What is the InChIKey of 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline?
The InChIKey is USSHXQHYWCPVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5OS/c1-2-25-13(12-8-5-9-26-12)23-24-16(25)27-14-10-6-3-4-7-11(10)21-15(22-14)17(18,19)20/h3-9H,2H2,1H3.
What are the key properties of 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline?
4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline has a molecular weight of 391.38 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 24566912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).