3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one

C10H9ClN2O2S — CID 1374506

IUPAC3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(Cl)ccc1OC
InChIInChI=1S/C10H9ClN2O2S/c1-15-8-3-2-6(11)4-7(8)13-9(14)5-16-10(13)12/h2-4,12H,5H2,1H3/b12-10-
InChIKeyWGHPYVRLZGOCNW-BENRWUELSA-N
MW256.71 g/mol
LogP2.36
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one

3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 1374506) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one
PubChem CID1374506
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(Cl)ccc1OC
InChIInChI=1S/C10H9ClN2O2S/c1-15-8-3-2-6(11)4-7(8)13-9(14)5-16-10(13)12/h2-4,12H,5H2,1H3/b12-10-
InChIKeyWGHPYVRLZGOCNW-BENRWUELSA-N
XLogP2.36
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one (CID 1374506) is 3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1cc(Cl)ccc1OC.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is WGHPYVRLZGOCNW-BENRWUELSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-15-8-3-2-6(11)4-7(8)13-9(14)5-16-10(13)12/h2-4,12H,5H2,1H3/b12-10-.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one?
3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 256.71 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1374506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).