4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid

C14H19NO4S — CID 114360222

IUPAC4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCOC1(c2nc(C3CC3)c(C(=O)O)s2)CCOCC1
InChIInChI=1S/C14H19NO4S/c1-2-19-14(5-7-18-8-6-14)13-15-10(9-3-4-9)11(20-13)12(16)17/h9H,2-8H2,1H3,(H,16,17)
InChIKeySSPCMDDAOATYHK-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.76
Rot. Bonds5

About 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360222) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360222
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCOC1(c2nc(C3CC3)c(C(=O)O)s2)CCOCC1
InChIInChI=1S/C14H19NO4S/c1-2-19-14(5-7-18-8-6-14)13-15-10(9-3-4-9)11(20-13)12(16)17/h9H,2-8H2,1H3,(H,16,17)
InChIKeySSPCMDDAOATYHK-UHFFFAOYSA-N
XLogP2.76
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-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 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid (CID 114360222) is 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid is CCOC1(c2nc(C3CC3)c(C(=O)O)s2)CCOCC1.
What is the InChIKey of 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SSPCMDDAOATYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-19-14(5-7-18-8-6-14)13-15-10(9-3-4-9)11(20-13)12(16)17/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).