2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid

C12H13N3O2S — CID 80568996

IUPAC2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCN(CCc1ccncc1)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H13N3O2S/c1-15(7-4-9-2-5-13-6-3-9)12-14-10(8-18-12)11(16)17/h2-3,5-6,8H,4,7H2,1H3,(H,16,17)
InChIKeyRDHWJKGNTKEHSR-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.92
Rot. Bonds5

About 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid

2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80568996) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID80568996
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCN(CCc1ccncc1)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H13N3O2S/c1-15(7-4-9-2-5-13-6-3-9)12-14-10(8-18-12)11(16)17/h2-3,5-6,8H,4,7H2,1H3,(H,16,17)
InChIKeyRDHWJKGNTKEHSR-UHFFFAOYSA-N
XLogP1.92
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl(2-pyridin-4-ylethyl)amino]-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-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 39160003
6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54944199
2-[2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160100
2-[methyl(pyridin-3-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569290
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753825
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-4-carboxylic acid
CID 70845902
4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 79399432
2-[furan-3-ylmethyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568217
2-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375396
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62751470
methyl 3-[2-[methyl(2-phenylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040420
2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569265

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid (CID 80568996) is 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid is CN(CCc1ccncc1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RDHWJKGNTKEHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-15(7-4-9-2-5-13-6-3-9)12-14-10(8-18-12)11(16)17/h2-3,5-6,8H,4,7H2,1H3,(H,16,17).
What are the key properties of 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).