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

C11H11N3O2S — CID 55112267

IUPAC2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1ccccn1)c1ncc(C(=O)O)s1
InChIInChI=1S/C11H11N3O2S/c1-14(7-8-4-2-3-5-12-8)11-13-6-9(17-11)10(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyXZIZRFUBCXLQTB-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.87
Rot. Bonds4

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

2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 55112267) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID55112267
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1ccccn1)c1ncc(C(=O)O)s1
InChIInChI=1S/C11H11N3O2S/c1-14(7-8-4-2-3-5-12-8)11-13-6-9(17-11)10(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyXZIZRFUBCXLQTB-UHFFFAOYSA-N
XLogP1.87
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
CID 57302328
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 55112363
4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 107509256
3-[2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486329
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 62752778
2-[methyl(pentyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62752432
methyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 80571139
6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81232216
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
2-[3-methoxypropyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63009264
2-[methyl(pyridin-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62052007
2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765756

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 55112267) is 2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid is CN(Cc1ccccn1)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is XZIZRFUBCXLQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-14(7-8-4-2-3-5-12-8)11-13-6-9(17-11)10(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 55112267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).