2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C22H18ClN3O3S — CID 71881361

IUPAC2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-13-20(30-22(24-13)16-5-2-3-6-17(16)23)21(29)25-14-9-11-15(12-10-14)26-18(27)7-4-8-19(26)28/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,25,29)
InChIKeyOVDSAKHZXWZWAF-UHFFFAOYSA-N
MW439.92 g/mol
LogP5.07
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 71881361) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID71881361
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-13-20(30-22(24-13)16-5-2-3-6-17(16)23)21(29)25-14-9-11-15(12-10-14)26-18(27)7-4-8-19(26)28/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,25,29)
InChIKeyOVDSAKHZXWZWAF-UHFFFAOYSA-N
XLogP5.07
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 55.07
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

[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 39080567
N'-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 35411866
2-(2-fluorophenyl)-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 42537829
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 42534917
2-(2-chlorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53370769
2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 49319130
2-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42580894
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 60553560
2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59337953
4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55406198
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 49371148

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 71881361) is 2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OVDSAKHZXWZWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-13-20(30-22(24-13)16-5-2-3-6-17(16)23)21(29)25-14-9-11-15(12-10-14)26-18(27)7-4-8-19(26)28/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,25,29).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 439.92 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71881361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).