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

C18H18FN3O3S — CID 17034994

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C18H18FN3O3S/c19-13-5-3-12(4-6-13)10-14-11-20-18(26-14)21-15(23)2-1-9-22-16(24)7-8-17(22)25/h3-6,11H,1-2,7-10H2,(H,20,21,23)
InChIKeyGFQPTCBGUHZTJQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.74
Rot. Bonds7

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

4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 17034994) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID17034994
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C18H18FN3O3S/c19-13-5-3-12(4-6-13)10-14-11-20-18(26-14)21-15(23)2-1-9-22-16(24)7-8-17(22)25/h3-6,11H,1-2,7-10H2,(H,20,21,23)
InChIKeyGFQPTCBGUHZTJQ-UHFFFAOYSA-N
XLogP2.74
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide (CID 17034994) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide is O=C(CCCN1C(=O)CCC1=O)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is GFQPTCBGUHZTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c19-13-5-3-12(4-6-13)10-14-11-20-18(26-14)21-15(23)2-1-9-22-16(24)7-8-17(22)25/h3-6,11H,1-2,7-10H2,(H,20,21,23).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 375.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 17034994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).