1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone

C20H16N2OS — CID 147598653

IUPAC1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2csc(-c3n[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C20H16N2OS/c1-13-6-8-14(9-7-13)10-18(23)15-11-19(24-12-15)20-16-4-2-3-5-17(16)21-22-20/h2-9,11-12H,10H2,1H3,(H,21,22)
InChIKeyFZRRIABNULYQBO-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.03
Rot. Bonds4

About 1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone

1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone (PubChem CID 147598653) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone
PubChem CID147598653
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2csc(-c3n[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C20H16N2OS/c1-13-6-8-14(9-7-13)10-18(23)15-11-19(24-12-15)20-16-4-2-3-5-17(16)21-22-20/h2-9,11-12H,10H2,1H3,(H,21,22)
InChIKeyFZRRIABNULYQBO-UHFFFAOYSA-N
XLogP5.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone (CID 147598653) is 1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2csc(-c3n[nH]c4ccccc34)c2)cc1.
What is the InChIKey of 1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is FZRRIABNULYQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-13-6-8-14(9-7-13)10-18(23)15-11-19(24-12-15)20-16-4-2-3-5-17(16)21-22-20/h2-9,11-12H,10H2,1H3,(H,21,22).
What are the key properties of 1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone?
1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 332.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-indazol-3-yl)thiophen-3-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 147598653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).