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

C11H18N2O2S — CID 62765441

IUPAC2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCN(C)c1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C11H18N2O2S/c1-4-6-7-13(3)11-12-8(5-2)9(16-11)10(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKeyDUSHOJMNTLFCHF-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.64
Rot. Bonds6

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

2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765441) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765441
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCN(C)c1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C11H18N2O2S/c1-4-6-7-13(3)11-12-8(5-2)9(16-11)10(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKeyDUSHOJMNTLFCHF-UHFFFAOYSA-N
XLogP2.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62765137
2-[2-(dimethylamino)ethyl-methylamino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63726540
2-[[butyl(ethyl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 82227238
2-[cyclopentyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62764075
4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 62763927
4-ethyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63026381
4-ethyl-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765122
4-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 79313038
4-ethyl-2-nonyl-1,3-thiazole-5-carboxylic acid
CID 82154814
2-[methyl(2-methylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112845
2-[ethyl(propyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764591
2-[cyclopropyl(3-methylbutyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 78917261

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 62765441) is 2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid is CCCCN(C)c1nc(CC)c(C(=O)O)s1.
What is the InChIKey of 2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DUSHOJMNTLFCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-6-7-13(3)11-12-8(5-2)9(16-11)10(14)15/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 242.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).