5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

C14H17NO3S2 — CID 116705248

IUPAC5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESCCOC(c1nc(-c2cc(C(=O)O)cs2)cs1)C(C)C
InChIInChI=1S/C14H17NO3S2/c1-4-18-12(8(2)3)13-15-10(7-20-13)11-5-9(6-19-11)14(16)17/h5-8,12H,4H2,1-3H3,(H,16,17)
InChIKeyJMGNMBQUUZPSJF-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.30
Rot. Bonds6

About 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 116705248) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
PubChem CID116705248
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESCCOC(c1nc(-c2cc(C(=O)O)cs2)cs1)C(C)C
InChIInChI=1S/C14H17NO3S2/c1-4-18-12(8(2)3)13-15-10(7-20-13)11-5-9(6-19-11)14(16)17/h5-8,12H,4H2,1-3H3,(H,16,17)
InChIKeyJMGNMBQUUZPSJF-UHFFFAOYSA-N
XLogP4.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-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

Related Compounds

2-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116705311
5-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116744515
3-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]benzoic acid
CID 116732299
5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355599
[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine
CID 116727879
(2S,3S)-3-(4-bromo-1,3-thiazol-2-yl)-3-ethoxy-2-methylpropanoic acid
CID 170055800
5-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114016544
5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 82732281
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 106817928
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol
CID 116967341
3-(2-propan-2-yl-1,3-thiazol-4-yl)benzoic acid
CID 55165398
5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 107124569

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (CID 116705248) is 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is CCOC(c1nc(-c2cc(C(=O)O)cs2)cs1)C(C)C.
What is the InChIKey of 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is JMGNMBQUUZPSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-4-18-12(8(2)3)13-15-10(7-20-13)11-5-9(6-19-11)14(16)17/h5-8,12H,4H2,1-3H3,(H,16,17).
What are the key properties of 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 311.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 116705248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).