1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone

C8H10N2OS2 — CID 131038136

IUPAC1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCSC1
InChIInChI=1S/C8H10N2OS2/c11-8(10-1-2-12-6-10)3-7-4-9-5-13-7/h4-5H,1-3,6H2
InChIKeyPHGGYOWRCRYJHJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.22
Rot. Bonds2

About 1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone

1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 131038136) has the molecular formula C8H10N2OS2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID131038136
Molecular FormulaC8H10N2OS2
Molecular Weight214.31 g/mol
Exact Mass214.02
IUPAC Name1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCSC1
InChIInChI=1S/C8H10N2OS2/c11-8(10-1-2-12-6-10)3-7-4-9-5-13-7/h4-5H,1-3,6H2
InChIKeyPHGGYOWRCRYJHJ-UHFFFAOYSA-N
XLogP1.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 131038136) is 1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)N1CCSC1.
What is the InChIKey of 1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is PHGGYOWRCRYJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS2/c11-8(10-1-2-12-6-10)3-7-4-9-5-13-7/h4-5H,1-3,6H2.
What are the key properties of 1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 214.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazolidin-3-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 131038136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).