N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide

C14H26N2O2S — CID 3930149

IUPACN-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N2O2S/c1-13(2,3)7-11(17)16-9-19-8-10(16)12(18)15-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,18)
InChIKeyWZLNEEUYBVSTMD-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.24
Rot. Bonds2

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

N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 3930149) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID3930149
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N2O2S/c1-13(2,3)7-11(17)16-9-19-8-10(16)12(18)15-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,18)
InChIKeyWZLNEEUYBVSTMD-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide (CID 3930149) is N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)CC(=O)N1CSCC1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WZLNEEUYBVSTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-13(2,3)7-11(17)16-9-19-8-10(16)12(18)15-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,18).
What are the key properties of N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide?
N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 286.44 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3930149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).