methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate

C6H8ClNO3S — CID 3023680

IUPACmethyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)Cl
InChIInChI=1S/C6H8ClNO3S/c1-11-5(9)4-2-12-3-8(4)6(7)10/h4H,2-3H2,1H3
InChIKeyCORDKGQLHLMDGC-UHFFFAOYSA-N
MW209.65 g/mol
LogP0.89
Rot. Bonds1

About methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate

methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate (PubChem CID 3023680) has the molecular formula C6H8ClNO3S and a molecular weight of 209.65 g/mol. Its IUPAC name is methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
PubChem CID3023680
Molecular FormulaC6H8ClNO3S
Molecular Weight209.65 g/mol
Exact Mass208.99
IUPAC Namemethyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)Cl
InChIInChI=1S/C6H8ClNO3S/c1-11-5(9)4-2-12-3-8(4)6(7)10/h4H,2-3H2,1H3
InChIKeyCORDKGQLHLMDGC-UHFFFAOYSA-N
XLogP0.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylate
CID 20624262
methyl (4R)-3-[[(4R)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxylate
CID 11833733
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161
methyl 3-[2-(4-methylpiperazin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylate
CID 14548324
methyl 3-(hydroxymethyl)-1,3-thiazolidine-4-carboxylate
CID 86153682
methyl (4R)-3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylate
CID 95989117
methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate
CID 142504337
methyl (3R)-4,5-dimethylthiomorpholine-3-carboxylate
CID 67755279
methyl 3-benzyl-1,3-thiazolidine-4-carboxylate;3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 159766642
methyl 3-[4-[(4-methylphenyl)methylamino]-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylate
CID 14457934
methyl (4R)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110191701
3-O-tert-butyl 4-O-(chloromethyl) 1,3-thiazolidine-3,4-dicarboxylate
CID 85120063

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate (CID 3023680) is methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSCN1C(=O)Cl.
What is the InChIKey of methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is CORDKGQLHLMDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO3S/c1-11-5(9)4-2-12-3-8(4)6(7)10/h4H,2-3H2,1H3.
What are the key properties of methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate?
methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 209.65 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 3023680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).