(3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate

C7H11NO3S — CID 175236720

IUPAC(3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate
SMILESCC1(C)SCC(OC=O)N1C=O
InChIInChI=1S/C7H11NO3S/c1-7(2)8(4-9)6(3-12-7)11-5-10/h4-6H,3H2,1-2H3
InChIKeyYOIAZRNJWOEVBY-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.43
Rot. Bonds3

About (3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate

(3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate (PubChem CID 175236720) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is (3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate.

Molecular Properties

Compound Name(3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate
PubChem CID175236720
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name(3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate
SMILESCC1(C)SCC(OC=O)N1C=O
InChIInChI=1S/C7H11NO3S/c1-7(2)8(4-9)6(3-12-7)11-5-10/h4-6H,3H2,1-2H3
InChIKeyYOIAZRNJWOEVBY-UHFFFAOYSA-N
XLogP0.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate?
The IUPAC name of (3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate (CID 175236720) is (3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate.
What is the SMILES notation for (3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate?
The canonical SMILES for (3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate is CC1(C)SCC(OC=O)N1C=O.
What is the InChIKey of (3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate?
The InChIKey is YOIAZRNJWOEVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-7(2)8(4-9)6(3-12-7)11-5-10/h4-6H,3H2,1-2H3.
What are the key properties of (3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate?
(3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate has a molecular weight of 189.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyl-2,2-dimethyl-1,3-thiazolidin-4-yl) formate is sourced from PubChem (CID 175236720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).