2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid

C12H13N3O2S — CID 62753825

IUPAC2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(CCc1ccncc1)c1ncc(C(=O)O)s1
InChIInChI=1S/C12H13N3O2S/c1-15(7-4-9-2-5-13-6-3-9)12-14-8-10(18-12)11(16)17/h2-3,5-6,8H,4,7H2,1H3,(H,16,17)
InChIKeyVNYSUEJZTLJXHG-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.92
Rot. Bonds5

About 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid

2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62753825) 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-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62753825
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(CCc1ccncc1)c1ncc(C(=O)O)s1
InChIInChI=1S/C12H13N3O2S/c1-15(7-4-9-2-5-13-6-3-9)12-14-8-10(18-12)11(16)17/h2-3,5-6,8H,4,7H2,1H3,(H,16,17)
InChIKeyVNYSUEJZTLJXHG-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

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Related Compounds

1-[2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62751470
5-(ethylaminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62752668
2-[ethyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753136
2-[methyl(pentyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62752432
5-(1-aminoethyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62751359
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568996
2-[3-methoxypropyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63009264
2-[(4-chlorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 55112599
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62752845
5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027898
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine
CID 6917214

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62753825) is 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid is CN(CCc1ccncc1)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VNYSUEJZTLJXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-15(7-4-9-2-5-13-6-3-9)12-14-8-10(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-5-carboxylic acid?
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-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-5-carboxylic acid is sourced from PubChem (CID 62753825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).