2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide

C9H18N2OS — CID 80500634

IUPAC2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide
SMILESCCNC(=O)CC1NC(C)(C)CS1
InChIInChI=1S/C9H18N2OS/c1-4-10-7(12)5-8-11-9(2,3)6-13-8/h8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyFQRQJSZVIXRXLX-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.95
Rot. Bonds3

About 2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide

2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide (PubChem CID 80500634) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide
PubChem CID80500634
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide
SMILESCCNC(=O)CC1NC(C)(C)CS1
InChIInChI=1S/C9H18N2OS/c1-4-10-7(12)5-8-11-9(2,3)6-13-8/h8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyFQRQJSZVIXRXLX-UHFFFAOYSA-N
XLogP0.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-heptyl-4,4-dimethyl-1,3-thiazolidine
CID 66229686
2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide
CID 136984877
N,N'-diethylpropanediamide
CID 4600245
sodium 2-(ethylamino)-2-oxoethanolate
CID 122705106
N-ethyl-2-(oxetan-2-yl)acetamide
CID 146215054
N-ethyl-2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetamide
CID 129276970
N-ethyl-1-methylcyclobutane-1-carboxamide
CID 131131875
N-ethyl-N'-(ethylaminomethyl)propanediamide
CID 20685111
1-(4,4-dimethylpyrrolidin-3-yl)-3-ethylurea
CID 165445323
N-ethyl-2-(thian-2-ylmethylamino)acetamide
CID 80600619
3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
CID 136951355
2-[(1S,2R)-2-aminocyclopentyl]-N-ethylacetamide
CID 130759051

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide?
The IUPAC name of 2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide (CID 80500634) is 2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide?
The canonical SMILES for 2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide is CCNC(=O)CC1NC(C)(C)CS1.
What is the InChIKey of 2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide?
The InChIKey is FQRQJSZVIXRXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-4-10-7(12)5-8-11-9(2,3)6-13-8/h8,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide?
2-(4,4-dimethyl-1,3-thiazolidin-2-yl)-N-ethylacetamide has a molecular weight of 202.32 g/mol, XLogP of 0.95, 3 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-yl)-N-ethylacetamide is sourced from PubChem (CID 80500634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).