3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide

C14H11N3O3S — CID 99978161

IUPAC3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide
SMILESO=C(Nc1nccs1)C1=C(O)CN(c2ccccc2)C1=O
InChIInChI=1S/C14H11N3O3S/c18-10-8-17(9-4-2-1-3-5-9)13(20)11(10)12(19)16-14-15-6-7-21-14/h1-7,18H,8H2,(H,15,16,19)
InChIKeyFYKHWQLMBRMCRB-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.94
Rot. Bonds3

About 3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide

3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide (PubChem CID 99978161) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide
PubChem CID99978161
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide
SMILESO=C(Nc1nccs1)C1=C(O)CN(c2ccccc2)C1=O
InChIInChI=1S/C14H11N3O3S/c18-10-8-17(9-4-2-1-3-5-9)13(20)11(10)12(19)16-14-15-6-7-21-14/h1-7,18H,8H2,(H,15,16,19)
InChIKeyFYKHWQLMBRMCRB-UHFFFAOYSA-N
XLogP1.94
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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CID 7740879
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4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 940171
2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide
CID 42888150
4-hydroxy-1-methyl-2,2-dioxo-N-(1,3-thiazol-2-yl)-3H-2λ6,1-benzothiazepine-5-carboxamide
CID 54693810
5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 39992666
3-amino-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 61090146
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
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(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
(1R,5S,6R,7S)-4-oxo-3-phenyl-N-(1,3-thiazol-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 41008462
4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 98122992
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide?
The IUPAC name of 3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide (CID 99978161) is 3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide.
What is the SMILES notation for 3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide?
The canonical SMILES for 3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide is O=C(Nc1nccs1)C1=C(O)CN(c2ccccc2)C1=O.
What is the InChIKey of 3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide?
The InChIKey is FYKHWQLMBRMCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-10-8-17(9-4-2-1-3-5-9)13(20)11(10)12(19)16-14-15-6-7-21-14/h1-7,18H,8H2,(H,15,16,19).
What are the key properties of 3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide?
3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)-2H-pyrrole-4-carboxamide is sourced from PubChem (CID 99978161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).