2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

C14H11N5O4S2 — CID 42534561

IUPAC2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESCc1nn2c(NC(=O)CSc3ncccc3C(=O)O)csc2nc1=O
InChIInChI=1S/C14H11N5O4S2/c1-7-11(21)17-14-19(18-7)9(5-25-14)16-10(20)6-24-12-8(13(22)23)3-2-4-15-12/h2-5H,6H2,1H3,(H,16,20)(H,22,23)
InChIKeyGIXYKBIKBXYGFB-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.28
Rot. Bonds5

About 2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (PubChem CID 42534561) has the molecular formula C14H11N5O4S2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
PubChem CID42534561
Molecular FormulaC14H11N5O4S2
Molecular Weight377.41 g/mol
Exact Mass377.03
IUPAC Name2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESCc1nn2c(NC(=O)CSc3ncccc3C(=O)O)csc2nc1=O
InChIInChI=1S/C14H11N5O4S2/c1-7-11(21)17-14-19(18-7)9(5-25-14)16-10(20)6-24-12-8(13(22)23)3-2-4-15-12/h2-5H,6H2,1H3,(H,16,20)(H,22,23)
InChIKeyGIXYKBIKBXYGFB-UHFFFAOYSA-N
XLogP1.28
TPSA126.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (CID 42534561) is 2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is Cc1nn2c(NC(=O)CSc3ncccc3C(=O)O)csc2nc1=O.
What is the InChIKey of 2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The InChIKey is GIXYKBIKBXYGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O4S2/c1-7-11(21)17-14-19(18-7)9(5-25-14)16-10(20)6-24-12-8(13(22)23)3-2-4-15-12/h2-5H,6H2,1H3,(H,16,20)(H,22,23).
What are the key properties of 2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid has a molecular weight of 377.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 42534561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).