2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide

C11H21N3OS — CID 136748256

IUPAC2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C/N=C1/NC(C)(C)CS1
InChIInChI=1S/C11H21N3OS/c1-8(2)5-12-9(15)6-13-10-14-11(3,4)7-16-10/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyMGZPQLKQIQNZLC-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.23
Rot. Bonds4

About 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide

2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide (PubChem CID 136748256) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide
PubChem CID136748256
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C/N=C1/NC(C)(C)CS1
InChIInChI=1S/C11H21N3OS/c1-8(2)5-12-9(15)6-13-10-14-11(3,4)7-16-10/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyMGZPQLKQIQNZLC-UHFFFAOYSA-N
XLogP1.23
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide (CID 136748256) is 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)C/N=C1/NC(C)(C)CS1.
What is the InChIKey of 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is MGZPQLKQIQNZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-8(2)5-12-9(15)6-13-10-14-11(3,4)7-16-10/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide?
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 243.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 136748256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).