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

C22H18ClN3O3S — CID 19197386

IUPACN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1sc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)nc1-c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN3O3S/c1-13-19(14-6-4-7-15(23)12-14)25-22(30-13)24-18(27)10-5-11-26-20(28)16-8-2-3-9-17(16)21(26)29/h2-4,6-9,12H,5,10-11H2,1H3,(H,24,25,27)
InChIKeyOTCVPSRAKZGWNW-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.79
Rot. Bonds6

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

N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 19197386) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID19197386
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC NameN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1sc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)nc1-c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN3O3S/c1-13-19(14-6-4-7-15(23)12-14)25-22(30-13)24-18(27)10-5-11-26-20(28)16-8-2-3-9-17(16)21(26)29/h2-4,6-9,12H,5,10-11H2,1H3,(H,24,25,27)
InChIKeyOTCVPSRAKZGWNW-UHFFFAOYSA-N
XLogP4.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.79
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-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19197239
4-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 19219149
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 7719954
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196756
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 19203542
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860
(3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 27519165
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791353
2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196435
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2541899
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16596091

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 19197386) is N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide is Cc1sc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)nc1-c1cccc(Cl)c1.
What is the InChIKey of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is OTCVPSRAKZGWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-13-19(14-6-4-7-15(23)12-14)25-22(30-13)24-18(27)10-5-11-26-20(28)16-8-2-3-9-17(16)21(26)29/h2-4,6-9,12H,5,10-11H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 439.92 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 19197386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).