2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid

C9H14N2O2S — CID 115423000

IUPAC2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NC(C)(C)C)nc1C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-5-6(7(12)13)10-8(14-5)11-9(2,3)4/h1-4H3,(H,10,11)(H,12,13)
InChIKeyMXGWRVUZSWTXMN-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.36
Rot. Bonds2

About 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115423000) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115423000
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NC(C)(C)C)nc1C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-5-6(7(12)13)10-8(14-5)11-9(2,3)4/h1-4H3,(H,10,11)(H,12,13)
InChIKeyMXGWRVUZSWTXMN-UHFFFAOYSA-N
XLogP2.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(tert-butylamino)-5-methyl-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

ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
CID 117097221
5-methyl-2-(4,4,4-trifluorobutylamino)-1,3-thiazole-4-carboxylic acid
CID 115523007
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423658
2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423521
5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 115423595
2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423281
methyl 5-methyl-2-(3-methylpentan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 106331938
2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306662
5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 115424902
5-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-4-carboxylic acid
CID 115424282
1-[2-(tert-butylamino)-5-propan-2-yl-1,3-thiazol-4-yl]-2,2-dimethylpropan-1-one
CID 58879764

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115423000) is 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(NC(C)(C)C)nc1C(=O)O.
What is the InChIKey of 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is MXGWRVUZSWTXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5-6(7(12)13)10-8(14-5)11-9(2,3)4/h1-4H3,(H,10,11)(H,12,13).
What are the key properties of 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 214.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).