2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide

C19H15N3O3S — CID 11111304

IUPAC2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3ccco3)c3ccccc23)sn1
InChIInChI=1S/C19H15N3O3S/c1-12-9-17(26-21-12)20-19(24)18(23)15-11-22(10-13-5-4-8-25-13)16-7-3-2-6-14(15)16/h2-9,11H,10H2,1H3,(H,20,24)
InChIKeyCAJHLUMAVAWJHY-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.87
Rot. Bonds5

About 2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide

2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide (PubChem CID 11111304) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
PubChem CID11111304
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3ccco3)c3ccccc23)sn1
InChIInChI=1S/C19H15N3O3S/c1-12-9-17(26-21-12)20-19(24)18(23)15-11-22(10-13-5-4-8-25-13)16-7-3-2-6-14(15)16/h2-9,11H,10H2,1H3,(H,20,24)
InChIKeyCAJHLUMAVAWJHY-UHFFFAOYSA-N
XLogP3.87
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide (CID 11111304) is 2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)c2cn(Cc3ccco3)c3ccccc23)sn1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The InChIKey is CAJHLUMAVAWJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-12-9-17(26-21-12)20-19(24)18(23)15-11-22(10-13-5-4-8-25-13)16-7-3-2-6-14(15)16/h2-9,11H,10H2,1H3,(H,20,24).
What are the key properties of 2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide has a molecular weight of 365.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide is sourced from PubChem (CID 11111304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).