3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C23H16N6OS — CID 47076780

IUPAC3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)c1cccc(-n2nccc2-c2ccccc2)c1
InChIInChI=1S/C23H16N6OS/c30-21(26-23-28-27-22(31-23)19-11-4-5-13-24-19)17-9-6-10-18(15-17)29-20(12-14-25-29)16-7-2-1-3-8-16/h1-15H,(H,26,28,30)
InChIKeyCRIRGFFYHJSUQC-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.71
Rot. Bonds5

About 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 47076780) has the molecular formula C23H16N6OS and a molecular weight of 424.49 g/mol. Its IUPAC name is 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID47076780
Molecular FormulaC23H16N6OS
Molecular Weight424.49 g/mol
Exact Mass424.11
IUPAC Name3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)c1cccc(-n2nccc2-c2ccccc2)c1
InChIInChI=1S/C23H16N6OS/c30-21(26-23-28-27-22(31-23)19-11-4-5-13-24-19)17-9-6-10-18(15-17)29-20(12-14-25-29)16-7-2-1-3-8-16/h1-15H,(H,26,28,30)
InChIKeyCRIRGFFYHJSUQC-UHFFFAOYSA-N
XLogP4.71
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 47925828
3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
CID 118577261
N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline
CID 90070716
2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 47877940
N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55810481
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 55810318
N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide
CID 97089380
N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 71864177
2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167988705
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 55979033

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 47076780) is 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccccn2)s1)c1cccc(-n2nccc2-c2ccccc2)c1.
What is the InChIKey of 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is CRIRGFFYHJSUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6OS/c30-21(26-23-28-27-22(31-23)19-11-4-5-13-24-19)17-9-6-10-18(15-17)29-20(12-14-25-29)16-7-2-1-3-8-16/h1-15H,(H,26,28,30).
What are the key properties of 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 424.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 47076780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).