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

C13H15N3O3S — CID 107509256

IUPAC4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N(C)Cc2ccccn2)sc1C(=O)O
InChIInChI=1S/C13H15N3O3S/c1-16(7-9-5-3-4-6-14-9)13-15-10(8-19-2)11(20-13)12(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyLKYMBUAFSMZOKJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.02
Rot. Bonds6

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

4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 107509256) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID107509256
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N(C)Cc2ccccn2)sc1C(=O)O
InChIInChI=1S/C13H15N3O3S/c1-16(7-9-5-3-4-6-14-9)13-15-10(8-19-2)11(20-13)12(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyLKYMBUAFSMZOKJ-UHFFFAOYSA-N
XLogP2.02
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509361
2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509365
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
4-ethyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765593
2-[methyl(pyridin-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765756
3-[2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486329
2-isoquinolin-1-yl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359989
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116670237
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687787
1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112508
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769379

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 107509256) is 4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid is COCc1nc(N(C)Cc2ccccn2)sc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LKYMBUAFSMZOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-16(7-9-5-3-4-6-14-9)13-15-10(8-19-2)11(20-13)12(17)18/h3-6H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107509256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).