N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide

C13H24N2O2S — CID 60609308

IUPACN-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSCN1C(=O)CC(C)C
InChIInChI=1S/C13H24N2O2S/c1-5-10(4)14-13(17)11-7-18-8-15(11)12(16)6-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,17)
InChIKeyDKVDXPZVJLQFMC-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.85
Rot. Bonds5

About N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide

N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 60609308) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID60609308
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSCN1C(=O)CC(C)C
InChIInChI=1S/C13H24N2O2S/c1-5-10(4)14-13(17)11-7-18-8-15(11)12(16)6-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,17)
InChIKeyDKVDXPZVJLQFMC-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide (CID 60609308) is N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide is CCC(C)NC(=O)C1CSCN1C(=O)CC(C)C.
What is the InChIKey of N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DKVDXPZVJLQFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-5-10(4)14-13(17)11-7-18-8-15(11)12(16)6-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,17).
What are the key properties of N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide?
N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60609308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).