1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine

C20H24N4O2S — CID 166212848

IUPAC1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine
SMILESCC(NCc1nn(C)c2ccccc12)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H24N4O2S/c1-15(21-14-19-18-6-3-4-7-20(18)23(2)22-19)16-8-10-17(11-9-16)24-12-5-13-27(24,25)26/h3-4,6-11,15,21H,5,12-14H2,1-2H3
InChIKeyNVKXKNVARAPDNZ-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.96
Rot. Bonds5

About 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine

1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine (PubChem CID 166212848) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine
PubChem CID166212848
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine
SMILESCC(NCc1nn(C)c2ccccc12)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H24N4O2S/c1-15(21-14-19-18-6-3-4-7-20(18)23(2)22-19)16-8-10-17(11-9-16)24-12-5-13-27(24,25)26/h3-4,6-11,15,21H,5,12-14H2,1-2H3
InChIKeyNVKXKNVARAPDNZ-UHFFFAOYSA-N
XLogP2.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025
(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
CID 93256546
(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81352245
N-[(1-methylindazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 63001915
(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81378061
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
(1R)-1-(2-tert-butylsulfanylphenyl)-N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]ethanamine
CID 100621553
(1S)-1-(2-tert-butylsulfanylphenyl)-N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]ethanamine
CID 100621536
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine (CID 166212848) is 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine is CC(NCc1nn(C)c2ccccc12)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine?
The InChIKey is NVKXKNVARAPDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-15(21-14-19-18-6-3-4-7-20(18)23(2)22-19)16-8-10-17(11-9-16)24-12-5-13-27(24,25)26/h3-4,6-11,15,21H,5,12-14H2,1-2H3.
What are the key properties of 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine?
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine has a molecular weight of 384.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(1-methylindazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 166212848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).