2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid

C11H11N3O2S — CID 80571425

IUPAC2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(CNc2ncc(C(=O)O)s2)n1
InChIInChI=1S/C11H11N3O2S/c1-7-3-2-4-8(14-7)5-12-11-13-6-9(17-11)10(15)16/h2-4,6H,5H2,1H3,(H,12,13)(H,15,16)
InChIKeyIFCFUAKWFODQDY-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.16
Rot. Bonds4

About 2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid

2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80571425) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
PubChem CID80571425
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(CNc2ncc(C(=O)O)s2)n1
InChIInChI=1S/C11H11N3O2S/c1-7-3-2-4-8(14-7)5-12-11-13-6-9(17-11)10(15)16/h2-4,6H,5H2,1H3,(H,12,13)(H,15,16)
InChIKeyIFCFUAKWFODQDY-UHFFFAOYSA-N
XLogP2.16
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid
CID 83181382
2,2-dimethyl-4-[(6-methyl-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 65300352
methyl 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylate
CID 47370694
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114919543
2-[(3-cyanophenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571600
2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571029
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 112672179
2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 166035830
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80571798
2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylic acid
CID 130569093
N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 47283149

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid (CID 80571425) is 2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid is Cc1cccc(CNc2ncc(C(=O)O)s2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is IFCFUAKWFODQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-3-2-4-8(14-7)5-12-11-13-6-9(17-11)10(15)16/h2-4,6H,5H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid?
2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).