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

C11H21N3OS — CID 136817723

IUPAC3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C/N=C1/NC(C)(C)CS1
InChIInChI=1S/C11H21N3OS/c1-10(2,8(15)12-5)6-13-9-14-11(3,4)7-16-9/h6-7H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyVNNTVGODZCBJTP-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.23
Rot. Bonds3

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

3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide (PubChem CID 136817723) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide
PubChem CID136817723
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C/N=C1/NC(C)(C)CS1
InChIInChI=1S/C11H21N3OS/c1-10(2,8(15)12-5)6-13-9-14-11(3,4)7-16-9/h6-7H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyVNNTVGODZCBJTP-UHFFFAOYSA-N
XLogP1.23
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide (CID 136817723) is 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)C/N=C1/NC(C)(C)CS1.
What is the InChIKey of 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide?
The InChIKey is VNNTVGODZCBJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-10(2,8(15)12-5)6-13-9-14-11(3,4)7-16-9/h6-7H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide?
3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide has a molecular weight of 243.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 136817723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).