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

C15H26N2O2S — CID 42748095

IUPACN-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NC2CC2)N1C(=O)C(C)C
InChIInChI=1S/C15H26N2O2S/c1-9(2)7-13-17(15(19)10(3)4)12(8-20-13)14(18)16-11-5-6-11/h9-13H,5-8H2,1-4H3,(H,16,18)
InChIKeyHFSWXMWKGLVHOA-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.24
Rot. Bonds5

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

N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748095) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748095
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NC2CC2)N1C(=O)C(C)C
InChIInChI=1S/C15H26N2O2S/c1-9(2)7-13-17(15(19)10(3)4)12(8-20-13)14(18)16-11-5-6-11/h9-13H,5-8H2,1-4H3,(H,16,18)
InChIKeyHFSWXMWKGLVHOA-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
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-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42748095) is N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CC(C)CC1SCC(C(=O)NC2CC2)N1C(=O)C(C)C.
What is the InChIKey of N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HFSWXMWKGLVHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-9(2)7-13-17(15(19)10(3)4)12(8-20-13)14(18)16-11-5-6-11/h9-13H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 298.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).