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

C10H9N3O3S — CID 80571966

IUPAC2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(Nc2ncc(C(=O)O)s2)cn1
InChIInChI=1S/C10H9N3O3S/c1-16-8-3-2-6(4-11-8)13-10-12-5-7(17-10)9(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyITTRUTUCXUGGCT-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.99
Rot. Bonds4

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

2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80571966) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID80571966
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(Nc2ncc(C(=O)O)s2)cn1
InChIInChI=1S/C10H9N3O3S/c1-16-8-3-2-6(4-11-8)13-10-12-5-7(17-10)9(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyITTRUTUCXUGGCT-UHFFFAOYSA-N
XLogP1.99
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(6-methoxy-3-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78919754
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321
2-(3,5-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571652
5-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402675
methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 107623558
2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571776
2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 80572716
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
CID 87396018

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid (CID 80571966) is 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid is COc1ccc(Nc2ncc(C(=O)O)s2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ITTRUTUCXUGGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-16-8-3-2-6(4-11-8)13-10-12-5-7(17-10)9(14)15/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid?
2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 251.27 g/mol, XLogP of 1.99, 4 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)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).