4,4-dimethyl-1,3-thiazolidine-5-carboxylate

C6H10NO2S- — CID 3391921

IUPAC4,4-dimethyl-1,3-thiazolidine-5-carboxylate
SMILESCC1(C)NCSC1C(=O)[O-]
InChIInChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)10-3-7-6/h4,7H,3H2,1-2H3,(H,8,9)/p-1
InChIKeyUPFRTOCROBCFNN-UHFFFAOYSA-M
MW160.22 g/mol
LogP-0.82
Rot. Bonds1

About 4,4-dimethyl-1,3-thiazolidine-5-carboxylate

4,4-dimethyl-1,3-thiazolidine-5-carboxylate (PubChem CID 3391921) has the molecular formula C6H10NO2S- and a molecular weight of 160.22 g/mol. Its IUPAC name is 4,4-dimethyl-1,3-thiazolidine-5-carboxylate.

Molecular Properties

Compound Name4,4-dimethyl-1,3-thiazolidine-5-carboxylate
PubChem CID3391921
Molecular FormulaC6H10NO2S-
Molecular Weight160.22 g/mol
Exact Mass160.04
IUPAC Name4,4-dimethyl-1,3-thiazolidine-5-carboxylate
SMILESCC1(C)NCSC1C(=O)[O-]
InChIInChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)10-3-7-6/h4,7H,3H2,1-2H3,(H,8,9)/p-1
InChIKeyUPFRTOCROBCFNN-UHFFFAOYSA-M
XLogP-0.82
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3-thiazolidine-5-carboxylate?
The IUPAC name of 4,4-dimethyl-1,3-thiazolidine-5-carboxylate (CID 3391921) is 4,4-dimethyl-1,3-thiazolidine-5-carboxylate.
What is the SMILES notation for 4,4-dimethyl-1,3-thiazolidine-5-carboxylate?
The canonical SMILES for 4,4-dimethyl-1,3-thiazolidine-5-carboxylate is CC1(C)NCSC1C(=O)[O-].
What is the InChIKey of 4,4-dimethyl-1,3-thiazolidine-5-carboxylate?
The InChIKey is UPFRTOCROBCFNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)10-3-7-6/h4,7H,3H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 4,4-dimethyl-1,3-thiazolidine-5-carboxylate?
4,4-dimethyl-1,3-thiazolidine-5-carboxylate has a molecular weight of 160.22 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3-thiazolidine-5-carboxylate is sourced from PubChem (CID 3391921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).