2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid

C16H13N3O5S — CID 24757332

IUPAC2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid
SMILESCOc1ccccc1-c1nc2cnc(C(=O)NCC(=O)O)c(O)c2s1
InChIInChI=1S/C16H13N3O5S/c1-24-10-5-3-2-4-8(10)16-19-9-6-17-12(13(22)14(9)25-16)15(23)18-7-11(20)21/h2-6,22H,7H2,1H3,(H,18,23)(H,20,21)
InChIKeyZCARWMDNABAERE-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.89
Rot. Bonds5

About 2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid

2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid (PubChem CID 24757332) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid
PubChem CID24757332
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid
SMILESCOc1ccccc1-c1nc2cnc(C(=O)NCC(=O)O)c(O)c2s1
InChIInChI=1S/C16H13N3O5S/c1-24-10-5-3-2-4-8(10)16-19-9-6-17-12(13(22)14(9)25-16)15(23)18-7-11(20)21/h2-6,22H,7H2,1H3,(H,18,23)(H,20,21)
InChIKeyZCARWMDNABAERE-UHFFFAOYSA-N
XLogP1.89
TPSA121.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid (CID 24757332) is 2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid is COc1ccccc1-c1nc2cnc(C(=O)NCC(=O)O)c(O)c2s1.
What is the InChIKey of 2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid?
The InChIKey is ZCARWMDNABAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5S/c1-24-10-5-3-2-4-8(10)16-19-9-6-17-12(13(22)14(9)25-16)15(23)18-7-11(20)21/h2-6,22H,7H2,1H3,(H,18,23)(H,20,21).
What are the key properties of 2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid?
2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid has a molecular weight of 359.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-hydroxy-2-(2-methoxyphenyl)-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 24757332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).