N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide

C19H13Cl2N3O2S — CID 127033434

IUPACN-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)Nc1ccc(N2Cc3c(Cl)cccc3C2=O)c(Cl)c1
InChIInChI=1S/C19H13Cl2N3O2S/c1-10-17(22-9-27-10)18(25)23-11-5-6-16(15(21)7-11)24-8-13-12(19(24)26)3-2-4-14(13)20/h2-7,9H,8H2,1H3,(H,23,25)
InChIKeyWHFYJBKUEYVYEX-UHFFFAOYSA-N
MW418.31 g/mol
LogP5.17
Rot. Bonds3

About N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide

N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 127033434) has the molecular formula C19H13Cl2N3O2S and a molecular weight of 418.31 g/mol. Its IUPAC name is N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID127033434
Molecular FormulaC19H13Cl2N3O2S
Molecular Weight418.31 g/mol
Exact Mass417.01
IUPAC NameN-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)Nc1ccc(N2Cc3c(Cl)cccc3C2=O)c(Cl)c1
InChIInChI=1S/C19H13Cl2N3O2S/c1-10-17(22-9-27-10)18(25)23-11-5-6-16(15(21)7-11)24-8-13-12(19(24)26)3-2-4-14(13)20/h2-7,9H,8H2,1H3,(H,23,25)
InChIKeyWHFYJBKUEYVYEX-UHFFFAOYSA-N
XLogP5.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.31
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-(7-fluoro-3-oxo-1H-isoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
CID 127031845
N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110858632
N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127025845
3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide
CID 127047066
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78883751
2-[2-chloro-4-(trifluoromethyl)phenyl]-4-methoxy-3H-isoindol-1-one;methyl 3-methoxy-2-methylbenzoate
CID 158769874
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78889380
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 55778627
N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 45110764
2,5-dichloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-3-carboxamide
CID 55778635
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzamide
CID 833887

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 127033434) is N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide is Cc1scnc1C(=O)Nc1ccc(N2Cc3c(Cl)cccc3C2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WHFYJBKUEYVYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O2S/c1-10-17(22-9-27-10)18(25)23-11-5-6-16(15(21)7-11)24-8-13-12(19(24)26)3-2-4-14(13)20/h2-7,9H,8H2,1H3,(H,23,25).
What are the key properties of N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide?
N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 418.31 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(7-chloro-3-oxo-1H-isoindol-2-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 127033434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).