N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide

C20H14Cl2N4O2S — CID 134015418

IUPACN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C20H14Cl2N4O2S/c21-12-5-6-15(22)14(9-12)16-11-29-20(24-16)25-19(28)7-8-26-17-4-2-1-3-13(17)18(27)10-23-26/h1-6,9-11H,7-8H2,(H,24,25,28)
InChIKeyCUEIBGWLWMNJHN-UHFFFAOYSA-N
MW445.33 g/mol
LogP4.86
Rot. Bonds5

About N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 134015418) has the molecular formula C20H14Cl2N4O2S and a molecular weight of 445.33 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID134015418
Molecular FormulaC20H14Cl2N4O2S
Molecular Weight445.33 g/mol
Exact Mass444.02
IUPAC NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C20H14Cl2N4O2S/c21-12-5-6-15(22)14(9-12)16-11-29-20(24-16)25-19(28)7-8-26-17-4-2-1-3-13(17)18(27)10-23-26/h1-6,9-11H,7-8H2,(H,24,25,28)
InChIKeyCUEIBGWLWMNJHN-UHFFFAOYSA-N
XLogP4.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.33
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
CID 16568422
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34809314
3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 16568405
N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097739
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51255004
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2359661
3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134015511
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51278884
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34807259

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide (CID 134015418) is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide is O=C(CCn1ncc(=O)c2ccccc21)Nc1nc(-c2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is CUEIBGWLWMNJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O2S/c21-12-5-6-15(22)14(9-12)16-11-29-20(24-16)25-19(28)7-8-26-17-4-2-1-3-13(17)18(27)10-23-26/h1-6,9-11H,7-8H2,(H,24,25,28).
What are the key properties of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 445.33 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 134015418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).