3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

C20H17N3O3S — CID 18089660

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C20H17N3O3S/c24-17(9-10-23-18(25)7-8-19(23)26)22-20-21-16(12-27-20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12H,7-10H2,(H,21,22,24)
InChIKeyBJLFWAKTYWBEBX-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.44
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 18089660) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID18089660
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C20H17N3O3S/c24-17(9-10-23-18(25)7-8-19(23)26)22-20-21-16(12-27-20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12H,7-10H2,(H,21,22,24)
InChIKeyBJLFWAKTYWBEBX-UHFFFAOYSA-N
XLogP3.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.44
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

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 36668177
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18089737
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712613
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 27845298
N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 18899148
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide (CID 18089660) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide is O=C(CCN1C(=O)CCC1=O)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is BJLFWAKTYWBEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-17(9-10-23-18(25)7-8-19(23)26)22-20-21-16(12-27-20)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12H,7-10H2,(H,21,22,24).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 379.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 18089660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).