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

C15H11N3O5S2 — CID 54693364

IUPACN-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N3O5S2/c19-8-4-11(20)17-14-13(8)25-15(18-14)24-5-12(21)16-7-1-2-9-10(3-7)23-6-22-9/h1-4H,5-6H2,(H,16,21)(H2,17,19,20)
InChIKeyZVPDQIBYXVYHSR-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.15
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 54693364) has the molecular formula C15H11N3O5S2 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
PubChem CID54693364
Molecular FormulaC15H11N3O5S2
Molecular Weight377.40 g/mol
Exact Mass377.01
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N3O5S2/c19-8-4-11(20)17-14-13(8)25-15(18-14)24-5-12(21)16-7-1-2-9-10(3-7)23-6-22-9/h1-4H,5-6H2,(H,16,21)(H2,17,19,20)
InChIKeyZVPDQIBYXVYHSR-UHFFFAOYSA-N
XLogP2.15
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 54691572
N-(1,3-benzodioxol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2660680
N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135629630
2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 54691545
N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 857457
N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2374011
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 6402772
N-(1,3-benzodioxol-5-yl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135713712
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428
N-(1,3-benzodioxol-5-yl)-2-[[2-methyl-7-(4-methylphenyl)-[1,3]thiazolo[4,5-d]pyridazin-4-yl]sulfanyl]acetamide
CID 16858768
N-(1,3-benzodioxol-5-yl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207522

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (CID 54693364) is N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is ZVPDQIBYXVYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5S2/c19-8-4-11(20)17-14-13(8)25-15(18-14)24-5-12(21)16-7-1-2-9-10(3-7)23-6-22-9/h1-4H,5-6H2,(H,16,21)(H2,17,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 54693364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).