5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid

C16H20N2O4S — CID 120821938

IUPAC5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C)(C)c2nc(C)c(C)s2)cc1C(=O)O
InChIInChI=1S/C16H20N2O4S/c1-6-11-10(14(20)21)7-12(22-11)13(19)18-16(4,5)15-17-8(2)9(3)23-15/h7H,6H2,1-5H3,(H,18,19)(H,20,21)
InChIKeyNMRHLSLUQTUTDJ-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.28
Rot. Bonds5

About 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid

5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120821938) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120821938
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C)(C)c2nc(C)c(C)s2)cc1C(=O)O
InChIInChI=1S/C16H20N2O4S/c1-6-11-10(14(20)21)7-12(22-11)13(19)18-16(4,5)15-17-8(2)9(3)23-15/h7H,6H2,1-5H3,(H,18,19)(H,20,21)
InChIKeyNMRHLSLUQTUTDJ-UHFFFAOYSA-N
XLogP3.28
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid 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 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120821938) is 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)NC(C)(C)c2nc(C)c(C)s2)cc1C(=O)O.
What is the InChIKey of 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is NMRHLSLUQTUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-6-11-10(14(20)21)7-12(22-11)13(19)18-16(4,5)15-17-8(2)9(3)23-15/h7H,6H2,1-5H3,(H,18,19)(H,20,21).
What are the key properties of 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 336.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120821938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).