[(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate

C7H11N3O3S — CID 54328268

IUPAC[(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate
SMILESCNC(=O)ON=C1SC(C)C(=O)N1C
InChIInChI=1S/C7H11N3O3S/c1-4-5(11)10(3)6(14-4)9-13-7(12)8-2/h4H,1-3H3,(H,8,12)
InChIKeySWMPYGYFSRDKCQ-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.21
Rot. Bonds1

About [(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate

[(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate (PubChem CID 54328268) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is [(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate.

Molecular Properties

Compound Name[(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate
PubChem CID54328268
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name[(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate
SMILESCNC(=O)ON=C1SC(C)C(=O)N1C
InChIInChI=1S/C7H11N3O3S/c1-4-5(11)10(3)6(14-4)9-13-7(12)8-2/h4H,1-3H3,(H,8,12)
InChIKeySWMPYGYFSRDKCQ-UHFFFAOYSA-N
XLogP0.21
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate?
The IUPAC name of [(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate (CID 54328268) is [(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate.
What is the SMILES notation for [(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate?
The canonical SMILES for [(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate is CNC(=O)ON=C1SC(C)C(=O)N1C.
What is the InChIKey of [(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate?
The InChIKey is SWMPYGYFSRDKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-4-5(11)10(3)6(14-4)9-13-7(12)8-2/h4H,1-3H3,(H,8,12).
What are the key properties of [(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate?
[(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate has a molecular weight of 217.25 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate is sourced from PubChem (CID 54328268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).