2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid

C14H11N3O5S2 — CID 54751422

IUPAC2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sc(-c3cccs3)nc21
InChIInChI=1S/C14H11N3O5S2/c1-17-11-10(24-13(16-11)6-3-2-4-23-6)9(20)8(14(17)22)12(21)15-5-7(18)19/h2-4,20H,5H2,1H3,(H,15,21)(H,18,19)
InChIKeyZQYPDNCCNXZAQP-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.24
Rot. Bonds4

About 2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid

2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid (PubChem CID 54751422) has the molecular formula C14H11N3O5S2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid
PubChem CID54751422
Molecular FormulaC14H11N3O5S2
Molecular Weight365.39 g/mol
Exact Mass365.01
IUPAC Name2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sc(-c3cccs3)nc21
InChIInChI=1S/C14H11N3O5S2/c1-17-11-10(24-13(16-11)6-3-2-4-23-6)9(20)8(14(17)22)12(21)15-5-7(18)19/h2-4,20H,5H2,1H3,(H,15,21)(H,18,19)
InChIKeyZQYPDNCCNXZAQP-UHFFFAOYSA-N
XLogP1.24
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid (CID 54751422) is 2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sc(-c3cccs3)nc21.
What is the InChIKey of 2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid?
The InChIKey is ZQYPDNCCNXZAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S2/c1-17-11-10(24-13(16-11)6-3-2-4-23-6)9(20)8(14(17)22)12(21)15-5-7(18)19/h2-4,20H,5H2,1H3,(H,15,21)(H,18,19).
What are the key properties of 2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid?
2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid has a molecular weight of 365.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 54751422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).