2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C11H16N2O2S — CID 47016933

IUPAC2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C11H16N2O2S/c1-7-10(16-8(2)13-7)11(14)12-6-9-4-3-5-15-9/h9H,3-6H2,1-2H3,(H,12,14)
InChIKeyOWKMVBUKGOKPBI-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.67
Rot. Bonds3

About 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 47016933) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID47016933
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C11H16N2O2S/c1-7-10(16-8(2)13-7)11(14)12-6-9-4-3-5-15-9/h9H,3-6H2,1-2H3,(H,12,14)
InChIKeyOWKMVBUKGOKPBI-UHFFFAOYSA-N
XLogP1.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 47016933) is 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CCCO2)s1.
What is the InChIKey of 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OWKMVBUKGOKPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-10(16-8(2)13-7)11(14)12-6-9-4-3-5-15-9/h9H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47016933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).