2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

C11H18N2O2S — CID 80570104

IUPAC2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCC(C)Nc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C11H18N2O2S/c1-4-5-6-7(2)12-11-13-8(3)9(16-11)10(14)15/h7H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyZBUWOTQDJHCFTJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.14
Rot. Bonds6

About 2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 80570104) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID80570104
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCC(C)Nc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C11H18N2O2S/c1-4-5-6-7(2)12-11-13-8(3)9(16-11)10(14)15/h7H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyZBUWOTQDJHCFTJ-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(hexan-2-ylamino)-4-methyl-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-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570132
methyl 4-chloro-2-(heptan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 54955467
2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570034
2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569882
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106347379
ethyl 2-(heptan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526761
2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569886
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 28803672
5-methyl-2-(6-methylheptan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 115424136
4-methyl-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80569513
methyl 2-(1-ethoxypropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569652
4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80569880

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 80570104) is 2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is CCCCC(C)Nc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZBUWOTQDJHCFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-5-6-7(2)12-11-13-8(3)9(16-11)10(14)15/h7H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 242.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).