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

C15H10N4O3S2 — CID 54691572

IUPACN-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESN#Cc1ccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1
InChIInChI=1S/C15H10N4O3S2/c16-6-8-1-3-9(4-2-8)17-12(22)7-23-15-19-14-13(24-15)10(20)5-11(21)18-14/h1-5H,7H2,(H,17,22)(H2,18,20,21)
InChIKeyMULSSYSQDSQBHV-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.29
Rot. Bonds4

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

N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 54691572) has the molecular formula C15H10N4O3S2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
PubChem CID54691572
Molecular FormulaC15H10N4O3S2
Molecular Weight358.40 g/mol
Exact Mass358.02
IUPAC NameN-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESN#Cc1ccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1
InChIInChI=1S/C15H10N4O3S2/c16-6-8-1-3-9(4-2-8)17-12(22)7-23-15-19-14-13(24-15)10(20)5-11(21)18-14/h1-5H,7H2,(H,17,22)(H2,18,20,21)
InChIKeyMULSSYSQDSQBHV-UHFFFAOYSA-N
XLogP2.29
TPSA118.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 54737161
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
2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 54691545
methyl 3-[[2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]amino]-4-methylbenzoate
CID 54691568
N-(4-tert-butylphenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide
CID 54691635
2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 54691638
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
N-(4-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17453263
N-(4-cyanophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42091985
N-[5-[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-N-cyclopropylpropanamide
CID 8783264
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide
CID 54691677

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (CID 54691572) is N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is N#Cc1ccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is MULSSYSQDSQBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3S2/c16-6-8-1-3-9(4-2-8)17-12(22)7-23-15-19-14-13(24-15)10(20)5-11(21)18-14/h1-5H,7H2,(H,17,22)(H2,18,20,21).
What are the key properties of N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 54691572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).