3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide

C13H24N2O2S — CID 3930152

IUPAC3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)C1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C13H24N2O2S/c1-5-6-14-12(17)10-8-18-9-15(10)11(16)7-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyUBVNPENSJVYOCZ-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.85
Rot. Bonds4

About 3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide

3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide (PubChem CID 3930152) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide
PubChem CID3930152
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)C1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C13H24N2O2S/c1-5-6-14-12(17)10-8-18-9-15(10)11(16)7-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyUBVNPENSJVYOCZ-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide (CID 3930152) is 3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide is CCCNC(=O)C1CSCN1C(=O)CC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is UBVNPENSJVYOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-5-6-14-12(17)10-8-18-9-15(10)11(16)7-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of 3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutanoyl)-N-propyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3930152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).