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

C24H14ClN3O3S — CID 19197399

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H14ClN3O3S/c25-19-8-4-3-7-18(19)20-13-32-24(26-20)27-21(29)14-9-11-15(12-10-14)28-22(30)16-5-1-2-6-17(16)23(28)31/h1-13H,(H,26,27,29)
InChIKeyOAHKNHJQDBRMKE-UHFFFAOYSA-N
MW459.91 g/mol
LogP5.52
Rot. Bonds4

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

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 19197399) has the molecular formula C24H14ClN3O3S and a molecular weight of 459.91 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID19197399
Molecular FormulaC24H14ClN3O3S
Molecular Weight459.91 g/mol
Exact Mass459.04
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H14ClN3O3S/c25-19-8-4-3-7-18(19)20-13-32-24(26-20)27-21(29)14-9-11-15(12-10-14)28-22(30)16-5-1-2-6-17(16)23(28)31/h1-13H,(H,26,27,29)
InChIKeyOAHKNHJQDBRMKE-UHFFFAOYSA-N
XLogP5.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 55.52
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

4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 162386859
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
CID 162387037
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102049
4-(1,3-dioxoisoindol-2-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19197395
N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1248679
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 86873602
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 940171
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide (CID 19197399) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is OAHKNHJQDBRMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClN3O3S/c25-19-8-4-3-7-18(19)20-13-32-24(26-20)27-21(29)14-9-11-15(12-10-14)28-22(30)16-5-1-2-6-17(16)23(28)31/h1-13H,(H,26,27,29).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 459.91 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 19197399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).