N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide

C15H13N5O2S — CID 75453197

IUPACN-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2cnn(-c3nccs3)c2)c1
InChIInChI=1S/C15H13N5O2S/c1-10-3-2-4-11(7-10)18-13(21)14(22)19-12-8-17-20(9-12)15-16-5-6-23-15/h2-9H,1H3,(H,18,21)(H,19,22)
InChIKeyGAIQDWOOHKYAKS-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.21
Rot. Bonds3

About N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide

N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide (PubChem CID 75453197) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide
PubChem CID75453197
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2cnn(-c3nccs3)c2)c1
InChIInChI=1S/C15H13N5O2S/c1-10-3-2-4-11(7-10)18-13(21)14(22)19-12-8-17-20(9-12)15-16-5-6-23-15/h2-9H,1H3,(H,18,21)(H,19,22)
InChIKeyGAIQDWOOHKYAKS-UHFFFAOYSA-N
XLogP2.21
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261
methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
CID 117076127
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
4-methyl-N-(3-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225230
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
1-(2,2-diethoxyethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]triazole-4-carboxamide
CID 71909020
N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
CID 87057580
N-(3-methylphenyl)acetamide
CID 10843
2-cyano-N-(3-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 958696
2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide?
The IUPAC name of N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide (CID 75453197) is N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide.
What is the SMILES notation for N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide?
The canonical SMILES for N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide is Cc1cccc(NC(=O)C(=O)Nc2cnn(-c3nccs3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide?
The InChIKey is GAIQDWOOHKYAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-10-3-2-4-11(7-10)18-13(21)14(22)19-12-8-17-20(9-12)15-16-5-6-23-15/h2-9H,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide?
N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide has a molecular weight of 327.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]oxamide is sourced from PubChem (CID 75453197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).