2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide

C15H13N3O2S — CID 17444347

IUPAC2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide
SMILESCC(Sc1nc(-c2ccco2)nc2ccccc12)C(N)=O
InChIInChI=1S/C15H13N3O2S/c1-9(13(16)19)21-15-10-5-2-3-6-11(10)17-14(18-15)12-7-4-8-20-12/h2-9H,1H3,(H2,16,19)
InChIKeyZCPVAONTMWZTBJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.86
Rot. Bonds4

About 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide

2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide (PubChem CID 17444347) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide
PubChem CID17444347
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide
SMILESCC(Sc1nc(-c2ccco2)nc2ccccc12)C(N)=O
InChIInChI=1S/C15H13N3O2S/c1-9(13(16)19)21-15-10-5-2-3-6-11(10)17-14(18-15)12-7-4-8-20-12/h2-9H,1H3,(H2,16,19)
InChIKeyZCPVAONTMWZTBJ-UHFFFAOYSA-N
XLogP2.86
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide
CID 7363906
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 24585582
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 24585570
N-cyclopropyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-2-phenylacetamide
CID 24585487
2-[(1S)-1-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 30091775
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 16581465
methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
CID 17444323
3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide
CID 55490415
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 17444327
(2S)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 2623022
N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 24585518
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide?
The IUPAC name of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide (CID 17444347) is 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide.
What is the SMILES notation for 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide?
The canonical SMILES for 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide is CC(Sc1nc(-c2ccco2)nc2ccccc12)C(N)=O.
What is the InChIKey of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide?
The InChIKey is ZCPVAONTMWZTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9(13(16)19)21-15-10-5-2-3-6-11(10)17-14(18-15)12-7-4-8-20-12/h2-9H,1H3,(H2,16,19).
What are the key properties of 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide?
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide has a molecular weight of 299.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide is sourced from PubChem (CID 17444347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).