5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid

C9H14N2O2S — CID 115059841

IUPAC5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(C)Cc1nc(C(=O)O)c(CN)s1
InChIInChI=1S/C9H14N2O2S/c1-5(2)3-7-11-8(9(12)13)6(4-10)14-7/h5H,3-4,10H2,1-2H3,(H,12,13)
InChIKeyJWLMQYAGXNHWQK-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.50
Rot. Bonds4

About 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid

5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 115059841) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
PubChem CID115059841
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
SMILESCC(C)Cc1nc(C(=O)O)c(CN)s1
InChIInChI=1S/C9H14N2O2S/c1-5(2)3-7-11-8(9(12)13)6(4-10)14-7/h5H,3-4,10H2,1-2H3,(H,12,13)
InChIKeyJWLMQYAGXNHWQK-UHFFFAOYSA-N
XLogP1.50
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-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-(2-aminoethyl)-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 83531807
4-tert-butyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114359338
5-methyl-2-(3-methylbutyl)-1,3-thiazole-4-carboxylic acid
CID 115422774
2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358572
2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
CID 83825855
2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 70211359
3-[4-(methoxymethyl)-2-(2-methylpropyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440885
2-[4-(aminomethyl)phenyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358886
[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362179
[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361998
[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
CID 114361034

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid (CID 115059841) is 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid is CC(C)Cc1nc(C(=O)O)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is JWLMQYAGXNHWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5(2)3-7-11-8(9(12)13)6(4-10)14-7/h5H,3-4,10H2,1-2H3,(H,12,13).
What are the key properties of 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid?
5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 214.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115059841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).