N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C16H18N4O3S — CID 8834284

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1c(NC(=O)CN2CSCC2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H18N4O3S/c1-11-15(17-13(21)8-19-10-24-9-14(19)22)16(23)20(18(11)2)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,17,21)
InChIKeyNKQRQEDQIDURJF-UHFFFAOYSA-N
MW346.41 g/mol
LogP0.96
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 8834284) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID8834284
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1c(NC(=O)CN2CSCC2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C16H18N4O3S/c1-11-15(17-13(21)8-19-10-24-9-14(19)22)16(23)20(18(11)2)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,17,21)
InChIKeyNKQRQEDQIDURJF-UHFFFAOYSA-N
XLogP0.96
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
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2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 8834284) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is Cc1c(NC(=O)CN2CSCC2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is NKQRQEDQIDURJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11-15(17-13(21)8-19-10-24-9-14(19)22)16(23)20(18(11)2)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,17,21).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 8834284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).