[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C17H13ClN2O2S2 — CID 122329422

IUPAC[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C17H13ClN2O2S2/c18-12-5-2-1-4-11(12)17-20(7-9-24-17)16(21)13-10-14(22-19-13)15-6-3-8-23-15/h1-6,8,10,17H,7,9H2
InChIKeyWPZLSNRJCQCLHF-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.94
Rot. Bonds3

About [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 122329422) has the molecular formula C17H13ClN2O2S2 and a molecular weight of 376.89 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID122329422
Molecular FormulaC17H13ClN2O2S2
Molecular Weight376.89 g/mol
Exact Mass376.01
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C17H13ClN2O2S2/c18-12-5-2-1-4-11(12)17-20(7-9-24-17)16(21)13-10-14(22-19-13)15-6-3-8-23-15/h1-6,8,10,17H,7,9H2
InChIKeyWPZLSNRJCQCLHF-UHFFFAOYSA-N
XLogP4.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 122329422) is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCSC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is WPZLSNRJCQCLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S2/c18-12-5-2-1-4-11(12)17-20(7-9-24-17)16(21)13-10-14(22-19-13)15-6-3-8-23-15/h1-6,8,10,17H,7,9H2.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 376.89 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 122329422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).