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

C12H13N3O3S — CID 103250201

IUPAC4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCOc1cc(CNCc2csc(C(=O)O)n2)ccn1
InChIInChI=1S/C12H13N3O3S/c1-18-10-4-8(2-3-14-10)5-13-6-9-7-19-11(15-9)12(16)17/h2-4,7,13H,5-6H2,1H3,(H,16,17)
InChIKeyNPIFVXXLMADSTA-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.53
Rot. Bonds6

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

4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 103250201) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID103250201
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCOc1cc(CNCc2csc(C(=O)O)n2)ccn1
InChIInChI=1S/C12H13N3O3S/c1-18-10-4-8(2-3-14-10)5-13-6-9-7-19-11(15-9)12(16)17/h2-4,7,13H,5-6H2,1H3,(H,16,17)
InChIKeyNPIFVXXLMADSTA-UHFFFAOYSA-N
XLogP1.53
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid with MolForge

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Related Compounds

4-[[(3,4-dimethoxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103238935
4-[[(3-ethoxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103240021
4-[[(4-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103268504
3-[2-[(2-methoxy-4-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487409
2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894588
4-[[(4-bromophenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103234962
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608919
1-(2-methoxy-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 79267784
4-[[(2-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103267195
(Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid
CID 103250162
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
4-[[2-(2-methoxyethoxy)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243896

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid (CID 103250201) is 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid is COc1cc(CNCc2csc(C(=O)O)n2)ccn1.
What is the InChIKey of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is NPIFVXXLMADSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-18-10-4-8(2-3-14-10)5-13-6-9-7-19-11(15-9)12(16)17/h2-4,7,13H,5-6H2,1H3,(H,16,17).
What are the key properties of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid?
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 103250201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).