furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone

C17H17N3O3S — CID 3225269

IUPACfuran-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2sccc21
InChIInChI=1S/C17H17N3O3S/c1-18-12-4-10-24-15(12)11-13(18)16(21)19-5-7-20(8-6-19)17(22)14-3-2-9-23-14/h2-4,9-11H,5-8H2,1H3
InChIKeyNQHZRIXCBQYIBH-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.43
Rot. Bonds2

About furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 3225269) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID3225269
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Namefuran-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2sccc21
InChIInChI=1S/C17H17N3O3S/c1-18-12-4-10-24-15(12)11-13(18)16(21)19-5-7-20(8-6-19)17(22)14-3-2-9-23-14/h2-4,9-11H,5-8H2,1H3
InChIKeyNQHZRIXCBQYIBH-UHFFFAOYSA-N
XLogP2.43
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 655865
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[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
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furan-2-yl(thiomorpholin-4-yl)methanone
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CID 21026314
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 60656601
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
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4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2,3-dimethyl-1,2-oxazol-5-one
CID 110681004
[4-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 34471542

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone (CID 3225269) is furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone is Cn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2sccc21.
What is the InChIKey of furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is NQHZRIXCBQYIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-18-12-4-10-24-15(12)11-13(18)16(21)19-5-7-20(8-6-19)17(22)14-3-2-9-23-14/h2-4,9-11H,5-8H2,1H3.
What are the key properties of furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 343.41 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3225269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).