2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C7H10N2O2S — CID 105442108

IUPAC2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCNC(C)c1nc(C(=O)O)cs1
InChIInChI=1S/C7H10N2O2S/c1-4(8-2)6-9-5(3-12-6)7(10)11/h3-4,8H,1-2H3,(H,10,11)
InChIKeyBYGXCBIJVAQZEZ-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.12
Rot. Bonds3

About 2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 105442108) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID105442108
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCNC(C)c1nc(C(=O)O)cs1
InChIInChI=1S/C7H10N2O2S/c1-4(8-2)6-9-5(3-12-6)7(10)11/h3-4,8H,1-2H3,(H,10,11)
InChIKeyBYGXCBIJVAQZEZ-UHFFFAOYSA-N
XLogP1.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(methylamino)ethyl]-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-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
CID 45103110
2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114958949
2-[1-(prop-2-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379617
2-[1-(pentan-2-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 107886517
2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372975
2-[(1S)-1-[[2-[(1S)-1-aminoethyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 16720895
2-[1-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 77135788
2-[1-(methylsulfonylmethylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82840243
2-[1-[3-(ethylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379246
2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379813
2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114474543
2-[1-(thiadiazole-5-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66378842

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 105442108) is 2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CNC(C)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is BYGXCBIJVAQZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4(8-2)6-9-5(3-12-6)7(10)11/h3-4,8H,1-2H3,(H,10,11).
What are the key properties of 2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 105442108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).