N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide

C19H20N4O3S — CID 10221628

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)c1
InChIInChI=1S/C19H20N4O3S/c1-13-4-2-5-14(10-13)11-18(24)20-19-16-12-15(6-7-17(16)21-22-19)23-8-3-9-27(23,25)26/h2,4-7,10,12H,3,8-9,11H2,1H3,(H2,20,21,22,24)
InChIKeyDLFSESWOWKXVMD-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.59
Rot. Bonds4

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide (PubChem CID 10221628) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide
PubChem CID10221628
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)c1
InChIInChI=1S/C19H20N4O3S/c1-13-4-2-5-14(10-13)11-18(24)20-19-16-12-15(6-7-17(16)21-22-19)23-8-3-9-27(23,25)26/h2,4-7,10,12H,3,8-9,11H2,1H3,(H2,20,21,22,24)
InChIKeyDLFSESWOWKXVMD-UHFFFAOYSA-N
XLogP2.59
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide (CID 10221628) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)c1.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is DLFSESWOWKXVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-4-2-5-14(10-13)11-18(24)20-19-16-12-15(6-7-17(16)21-22-19)23-8-3-9-27(23,25)26/h2,4-7,10,12H,3,8-9,11H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 384.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 10221628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).