N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

C19H12ClN3O3S — CID 17499132

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O
InChIInChI=1S/C19H12ClN3O3S/c1-23-17(25)13-7-4-11(8-14(13)18(23)26)16(24)22-19-21-15(9-27-19)10-2-5-12(20)6-3-10/h2-9H,1H3,(H,21,22,24)
InChIKeyWXWUYZPYADKWEO-UHFFFAOYSA-N
MW397.84 g/mol
LogP3.94
Rot. Bonds3

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17499132) has the molecular formula C19H12ClN3O3S and a molecular weight of 397.84 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID17499132
Molecular FormulaC19H12ClN3O3S
Molecular Weight397.84 g/mol
Exact Mass397.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O
InChIInChI=1S/C19H12ClN3O3S/c1-23-17(25)13-7-4-11(8-14(13)18(23)26)16(24)22-19-21-15(9-27-19)10-2-5-12(20)6-3-10/h2-9H,1H3,(H,21,22,24)
InChIKeyWXWUYZPYADKWEO-UHFFFAOYSA-N
XLogP3.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 53.94
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-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17493085
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55341353
1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 108769722
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
2-(3-methoxypropyl)-1,3-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 17496752
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
4-chloro-N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 22694411
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 16557483
4-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 2314903
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide
CID 126537627

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 17499132) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2C1=O.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is WXWUYZPYADKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3S/c1-23-17(25)13-7-4-11(8-14(13)18(23)26)16(24)22-19-21-15(9-27-19)10-2-5-12(20)6-3-10/h2-9H,1H3,(H,21,22,24).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 397.84 g/mol, XLogP of 3.94, 3 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]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17499132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).