(2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol

C18H20N2O3S — CID 72544450

IUPAC(2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
SMILESO=S1(=O)CCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H20N2O3S/c21-14(12-19-10-5-11-24(19,22)23)13-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-4,6-9,14,21H,5,10-13H2/t14-/m1/s1
InChIKeyKBUAONWROSSDRE-CQSZACIVSA-N
MW344.44 g/mol
LogP2.19
Rot. Bonds4

About (2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol

(2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol (PubChem CID 72544450) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
PubChem CID72544450
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
SMILESO=S1(=O)CCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H20N2O3S/c21-14(12-19-10-5-11-24(19,22)23)13-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-4,6-9,14,21H,5,10-13H2/t14-/m1/s1
InChIKeyKBUAONWROSSDRE-CQSZACIVSA-N
XLogP2.19
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol (CID 72544450) is (2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol is O=S1(=O)CCCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The InChIKey is KBUAONWROSSDRE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-14(12-19-10-5-11-24(19,22)23)13-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-4,6-9,14,21H,5,10-13H2/t14-/m1/s1.
What are the key properties of (2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
(2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol has a molecular weight of 344.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbazol-9-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol is sourced from PubChem (CID 72544450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).