(2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

C11H19N3O3S — CID 89110050

IUPAC(2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCCN1C(=O)CS/C1=C(/N)C(=O)NC(C)(C)CO
InChIInChI=1S/C11H19N3O3S/c1-4-14-7(16)5-18-10(14)8(12)9(17)13-11(2,3)6-15/h15H,4-6,12H2,1-3H3,(H,13,17)/b10-8+
InChIKeyDRCDGJDQMOLXRA-CSKARUKUSA-N
MW273.36 g/mol
LogP-0.40
Rot. Bonds4

About (2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide

(2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (PubChem CID 89110050) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is (2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name(2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
PubChem CID89110050
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name(2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
SMILESCCN1C(=O)CS/C1=C(/N)C(=O)NC(C)(C)CO
InChIInChI=1S/C11H19N3O3S/c1-4-14-7(16)5-18-10(14)8(12)9(17)13-11(2,3)6-15/h15H,4-6,12H2,1-3H3,(H,13,17)/b10-8+
InChIKeyDRCDGJDQMOLXRA-CSKARUKUSA-N
XLogP-0.40
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The IUPAC name of (2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide (CID 89110050) is (2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for (2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The canonical SMILES for (2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is CCN1C(=O)CS/C1=C(/N)C(=O)NC(C)(C)CO.
What is the InChIKey of (2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
The InChIKey is DRCDGJDQMOLXRA-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-4-14-7(16)5-18-10(14)8(12)9(17)13-11(2,3)6-15/h15H,4-6,12H2,1-3H3,(H,13,17)/b10-8+.
What are the key properties of (2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide?
(2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide has a molecular weight of 273.36 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-amino-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 89110050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).