2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

C15H26N2O2S — CID 63513767

IUPAC2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(CC)CC(CC)CC)sc1C(=O)O
InChIInChI=1S/C15H26N2O2S/c1-5-9-12-13(14(18)19)20-15(16-12)17(8-4)10-11(6-2)7-3/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyHYEKXYBOCGLZKJ-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.06
Rot. Bonds9

About 2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 63513767) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID63513767
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(CC)CC(CC)CC)sc1C(=O)O
InChIInChI=1S/C15H26N2O2S/c1-5-9-12-13(14(18)19)20-15(16-12)17(8-4)10-11(6-2)7-3/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyHYEKXYBOCGLZKJ-UHFFFAOYSA-N
XLogP4.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(2-ethylbutyl)amino]-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

2-[ethyl(propyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764591
2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63938356
2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112748
2-[methyl(2-methylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112845
2-(diethylamino)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360442
2-[2-(dimethylamino)ethyl-methylamino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63726540
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
2-[cyclohexyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765774
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-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766149
2-methoxy-4-propyl-1,3-thiazole-5-carboxylic acid
CID 19885485

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 63513767) is 2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N(CC)CC(CC)CC)sc1C(=O)O.
What is the InChIKey of 2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HYEKXYBOCGLZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-9-12-13(14(18)19)20-15(16-12)17(8-4)10-11(6-2)7-3/h11H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 298.45 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63513767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).