3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

C19H15N5O2S — CID 134015511

IUPAC3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C19H15N5O2S/c25-16-12-20-24(15-9-5-4-8-14(15)16)11-10-17(26)21-19-23-22-18(27-19)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,21,23,26)
InChIKeyVVKQPNLXQKWZQC-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.94
Rot. Bonds5

About 3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide

3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 134015511) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID134015511
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C19H15N5O2S/c25-16-12-20-24(15-9-5-4-8-14(15)16)11-10-17(26)21-19-23-22-18(27-19)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,21,23,26)
InChIKeyVVKQPNLXQKWZQC-UHFFFAOYSA-N
XLogP2.94
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 110922929
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
3-(4-oxocinnolin-1-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55991229
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18097743
N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254964
3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 16568405
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51255004

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (CID 134015511) is 3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is O=C(CCn1ncc(=O)c2ccccc21)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is VVKQPNLXQKWZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-16-12-20-24(15-9-5-4-8-14(15)16)11-10-17(26)21-19-23-22-18(27-19)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,21,23,26).
What are the key properties of 3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 377.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 134015511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).