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

C11H18N2O2S — CID 115423388

IUPAC2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCN(CC)c1nc(C(=O)O)c(C)s1
InChIInChI=1S/C11H18N2O2S/c1-4-6-7-13(5-2)11-12-9(10(14)15)8(3)16-11/h4-7H2,1-3H3,(H,14,15)
InChIKeyCXQQISNQZFDVDC-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.78
Rot. Bonds6

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

2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115423388) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115423388
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCN(CC)c1nc(C(=O)O)c(C)s1
InChIInChI=1S/C11H18N2O2S/c1-4-6-7-13(5-2)11-12-9(10(14)15)8(3)16-11/h4-7H2,1-3H3,(H,14,15)
InChIKeyCXQQISNQZFDVDC-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422730
2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 63918554
2-butyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422683
5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 115424607
2-[ethyl(propyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764591
5-methyl-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 115423620
2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765926
5-acetyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697143
2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765808
2-(N,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423841
5-(aminomethyl)-N-butyl-N,4-diethyl-1,3-thiazol-2-amine
CID 62764857
2-ethyl-2-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 112752467

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115423388) is 2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is CCCCN(CC)c1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is CXQQISNQZFDVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-6-7-13(5-2)11-12-9(10(14)15)8(3)16-11/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 242.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).