6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline

C17H12FN5OS — CID 133426842

IUPAC6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline
SMILESC=CCn1c(Sc2ncnc3ccc(F)cc23)nnc1-c1ccco1
InChIInChI=1S/C17H12FN5OS/c1-2-7-23-15(14-4-3-8-24-14)21-22-17(23)25-16-12-9-11(18)5-6-13(12)19-10-20-16/h2-6,8-10H,1,7H2
InChIKeyRUENSQQXNOAOBH-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.96
Rot. Bonds5

About 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline

6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline (PubChem CID 133426842) has the molecular formula C17H12FN5OS and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline
PubChem CID133426842
Molecular FormulaC17H12FN5OS
Molecular Weight353.38 g/mol
Exact Mass353.07
IUPAC Name6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline
SMILESC=CCn1c(Sc2ncnc3ccc(F)cc23)nnc1-c1ccco1
InChIInChI=1S/C17H12FN5OS/c1-2-7-23-15(14-4-3-8-24-14)21-22-17(23)25-16-12-9-11(18)5-6-13(12)19-10-20-16/h2-6,8-10H,1,7H2
InChIKeyRUENSQQXNOAOBH-UHFFFAOYSA-N
XLogP3.96
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133444072
4-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-6-fluoroquinazoline
CID 133427112
2-(6-fluoroquinazolin-4-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 133425874
N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46670580
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine
CID 30908835
4-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133427285
4-ethyl-5-fluoro-6-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133432916
methyl 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 19724314
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole
CID 24869479
1-(2,5-dimethylphenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 46527875
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 51288440
3-[[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
CID 7333794

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline?
The IUPAC name of 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline (CID 133426842) is 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline?
The canonical SMILES for 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline is C=CCn1c(Sc2ncnc3ccc(F)cc23)nnc1-c1ccco1.
What is the InChIKey of 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline?
The InChIKey is RUENSQQXNOAOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5OS/c1-2-7-23-15(14-4-3-8-24-14)21-22-17(23)25-16-12-9-11(18)5-6-13(12)19-10-20-16/h2-6,8-10H,1,7H2.
What are the key properties of 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline?
6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline has a molecular weight of 353.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]quinazoline is sourced from PubChem (CID 133426842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).