3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C14H26N2O2S — CID 42749074

IUPAC3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C14H26N2O2S/c1-10(2)7-15-13(18)11-8-19-9-16(11)12(17)6-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyVGIDWMFEMKBION-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.10
Rot. Bonds4

About 3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42749074) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42749074
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C14H26N2O2S/c1-10(2)7-15-13(18)11-8-19-9-16(11)12(17)6-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyVGIDWMFEMKBION-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.10
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-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42749074) is 3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CC(C)CNC(=O)C1CSCN1C(=O)CC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VGIDWMFEMKBION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-10(2)7-15-13(18)11-8-19-9-16(11)12(17)6-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,18).
What are the key properties of 3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
3-(3,3-dimethylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 286.44 g/mol, XLogP of 2.10, 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-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42749074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).