2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid

C12H13N3O3S — CID 113307111

IUPAC2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(CNc2nc(C(=O)O)c(C)s2)cn1
InChIInChI=1S/C12H13N3O3S/c1-7-10(11(16)17)15-12(19-7)14-6-8-3-4-9(18-2)13-5-8/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZPDZAZGOMQDYBR-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.17
Rot. Bonds5

About 2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid

2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 113307111) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID113307111
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(CNc2nc(C(=O)O)c(C)s2)cn1
InChIInChI=1S/C12H13N3O3S/c1-7-10(11(16)17)15-12(19-7)14-6-8-3-4-9(18-2)13-5-8/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZPDZAZGOMQDYBR-UHFFFAOYSA-N
XLogP2.17
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423142
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142176
2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 114937601
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622866
5-methyl-2-(1,2-oxazol-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 115424938
5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 115423761
methyl 2-[(4-fluorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306639
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 48985394
5-methyl-2-[(3-methylthiophen-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 115424902
2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604
5-acetyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 106696320
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 106378320

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 113307111) is 2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid is COc1ccc(CNc2nc(C(=O)O)c(C)s2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZPDZAZGOMQDYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-10(11(16)17)15-12(19-7)14-6-8-3-4-9(18-2)13-5-8/h3-5H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?
2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113307111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).