methyl 2-methylimino-1,3-thiazolidine-4-carboxylate

C6H10N2O2S — CID 135829631

IUPACmethyl 2-methylimino-1,3-thiazolidine-4-carboxylate
SMILESC/N=C1/NC(C(=O)OC)CS1
InChIInChI=1S/C6H10N2O2S/c1-7-6-8-4(3-11-6)5(9)10-2/h4H,3H2,1-2H3,(H,7,8)
InChIKeyYZYSQVUOHWFBBG-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.15
Rot. Bonds1

About methyl 2-methylimino-1,3-thiazolidine-4-carboxylate

methyl 2-methylimino-1,3-thiazolidine-4-carboxylate (PubChem CID 135829631) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is methyl 2-methylimino-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylimino-1,3-thiazolidine-4-carboxylate
PubChem CID135829631
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Namemethyl 2-methylimino-1,3-thiazolidine-4-carboxylate
SMILESC/N=C1/NC(C(=O)OC)CS1
InChIInChI=1S/C6H10N2O2S/c1-7-6-8-4(3-11-6)5(9)10-2/h4H,3H2,1-2H3,(H,7,8)
InChIKeyYZYSQVUOHWFBBG-UHFFFAOYSA-N
XLogP-0.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.15
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 methyl 2-methylimino-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-methylimino-1,3-thiazolidine-4-carboxylate (CID 135829631) is methyl 2-methylimino-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-methylimino-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-methylimino-1,3-thiazolidine-4-carboxylate is C/N=C1/NC(C(=O)OC)CS1.
What is the InChIKey of methyl 2-methylimino-1,3-thiazolidine-4-carboxylate?
The InChIKey is YZYSQVUOHWFBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-7-6-8-4(3-11-6)5(9)10-2/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of methyl 2-methylimino-1,3-thiazolidine-4-carboxylate?
methyl 2-methylimino-1,3-thiazolidine-4-carboxylate has a molecular weight of 174.22 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylimino-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 135829631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).