N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

C16H15N3O5S2 — CID 54693346

IUPACN-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)c1
InChIInChI=1S/C16H15N3O5S2/c1-23-8-3-4-11(24-2)9(5-8)17-13(22)7-25-16-19-15-14(26-16)10(20)6-12(21)18-15/h3-6H,7H2,1-2H3,(H,17,22)(H2,18,20,21)
InChIKeyGNMGOJMZFWLPST-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.44
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 54693346) has the molecular formula C16H15N3O5S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
PubChem CID54693346
Molecular FormulaC16H15N3O5S2
Molecular Weight393.45 g/mol
Exact Mass393.05
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)c1
InChIInChI=1S/C16H15N3O5S2/c1-23-8-3-4-11(24-2)9(5-8)17-13(22)7-25-16-19-15-14(26-16)10(20)6-12(21)18-15/h3-6H,7H2,1-2H3,(H,17,22)(H2,18,20,21)
InChIKeyGNMGOJMZFWLPST-UHFFFAOYSA-N
XLogP2.44
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (CID 54693346) is N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is COc1ccc(OC)c(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is GNMGOJMZFWLPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S2/c1-23-8-3-4-11(24-2)9(5-8)17-13(22)7-25-16-19-15-14(26-16)10(20)6-12(21)18-15/h3-6H,7H2,1-2H3,(H,17,22)(H2,18,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 54693346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).