2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid

C13H21NO3S — CID 114359602

IUPAC2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C(C)(CC)OCC)sc1C(=O)O
InChIInChI=1S/C13H21NO3S/c1-5-8-9-10(11(15)16)18-12(14-9)13(4,6-2)17-7-3/h5-8H2,1-4H3,(H,15,16)
InChIKeyFWIAZUZHOGCMLA-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.46
Rot. Bonds7

About 2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid

2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114359602) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID114359602
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C(C)(CC)OCC)sc1C(=O)O
InChIInChI=1S/C13H21NO3S/c1-5-8-9-10(11(15)16)18-12(14-9)13(4,6-2)17-7-3/h5-8H2,1-4H3,(H,15,16)
InChIKeyFWIAZUZHOGCMLA-UHFFFAOYSA-N
XLogP3.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethoxybutan-2-yl)-4-propyl-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

Related Compounds

N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364301
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885485
4-propyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 114359672
N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366296
4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 96601787
4-propyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 82226400
2-[cyclopropyl(ethoxy)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359644
2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112748
2-[ethyl(propyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764591
1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116775188

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 114359602) is 2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(C(C)(CC)OCC)sc1C(=O)O.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FWIAZUZHOGCMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-5-8-9-10(11(15)16)18-12(14-9)13(4,6-2)17-7-3/h5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 271.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).