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

C11H11N3O3S — CID 79402675

IUPAC5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOc1ccc(Nc2snc(C)c2C(=O)O)cn1
InChIInChI=1S/C11H11N3O3S/c1-6-9(11(15)16)10(18-14-6)13-7-3-4-8(17-2)12-5-7/h3-5,13H,1-2H3,(H,15,16)
InChIKeyAFZGTYLZTVOIKJ-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.30
Rot. Bonds4

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

5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402675) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402675
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOc1ccc(Nc2snc(C)c2C(=O)O)cn1
InChIInChI=1S/C11H11N3O3S/c1-6-9(11(15)16)10(18-14-6)13-7-3-4-8(17-2)12-5-7/h3-5,13H,1-2H3,(H,15,16)
InChIKeyAFZGTYLZTVOIKJ-UHFFFAOYSA-N
XLogP2.30
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(4-methylanilino)-1,2-thiazole-4-carboxylic acid
CID 79402442
5-(4-bromo-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 82860177
2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571966
5-(2-methoxy-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402049
5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401895
5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79403075
5-(2,4-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402513
5-[4-fluoro-3-(trifluoromethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397206
methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78919754
N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide
CID 79375479
1-[5-(4-iodoanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375577
5-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90317472

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402675) is 5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is COc1ccc(Nc2snc(C)c2C(=O)O)cn1.
What is the InChIKey of 5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is AFZGTYLZTVOIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-6-9(11(15)16)10(18-14-6)13-7-3-4-8(17-2)12-5-7/h3-5,13H,1-2H3,(H,15,16).
What are the key properties of 5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).