[1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine

C13H20N2O3S — CID 133180313

IUPAC[1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine
SMILESCC(C)Oc1ccc(N2CCC(CN)S2(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)18-12-5-3-11(4-6-12)15-8-7-13(9-14)19(15,16)17/h3-6,10,13H,7-9,14H2,1-2H3
InChIKeyNGTRSFOIXLXFIT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.34
Rot. Bonds4

About [1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine

[1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine (PubChem CID 133180313) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine.

Molecular Properties

Compound Name[1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine
PubChem CID133180313
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine
SMILESCC(C)Oc1ccc(N2CCC(CN)S2(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)18-12-5-3-11(4-6-12)15-8-7-13(9-14)19(15,16)17/h3-6,10,13H,7-9,14H2,1-2H3
InChIKeyNGTRSFOIXLXFIT-UHFFFAOYSA-N
XLogP1.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine?
The IUPAC name of [1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine (CID 133180313) is [1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine.
What is the SMILES notation for [1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine?
The canonical SMILES for [1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine is CC(C)Oc1ccc(N2CCC(CN)S2(=O)=O)cc1.
What is the InChIKey of [1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine?
The InChIKey is NGTRSFOIXLXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)18-12-5-3-11(4-6-12)15-8-7-13(9-14)19(15,16)17/h3-6,10,13H,7-9,14H2,1-2H3.
What are the key properties of [1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine?
[1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-2-(4-propan-2-yloxyphenyl)-1,2-thiazolidin-5-yl]methanamine is sourced from PubChem (CID 133180313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).