N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C21H16ClN3O3S — CID 4791353

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H16ClN3O3S/c22-14-9-7-13(8-10-14)17-12-29-21(23-17)24-18(26)6-3-11-25-19(27)15-4-1-2-5-16(15)20(25)28/h1-2,4-5,7-10,12H,3,6,11H2,(H,23,24,26)
InChIKeyFUMLQFRUOMACAN-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.48
Rot. Bonds6

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 4791353) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID4791353
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H16ClN3O3S/c22-14-9-7-13(8-10-14)17-12-29-21(23-17)24-18(26)6-3-11-25-19(27)15-4-1-2-5-16(15)20(25)28/h1-2,4-5,7-10,12H,3,6,11H2,(H,23,24,26)
InChIKeyFUMLQFRUOMACAN-UHFFFAOYSA-N
XLogP4.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 35721990
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19197319
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791355
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 39072716
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 2067526
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751433
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 7719954
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193133
4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
CID 55677974
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 24569099
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-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 4791353) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is FUMLQFRUOMACAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c22-14-9-7-13(8-10-14)17-12-29-21(23-17)24-18(26)6-3-11-25-19(27)15-4-1-2-5-16(15)20(25)28/h1-2,4-5,7-10,12H,3,6,11H2,(H,23,24,26).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 425.90 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 4791353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).