N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide

C19H17N3O4S — CID 171835725

IUPACN-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H17N3O4S/c23-15(6-3-11-22-17(24)9-10-18(22)25)21-16-8-7-13(26-16)19-20-12-4-1-2-5-14(12)27-19/h1-2,4-5,7-8H,3,6,9-11H2,(H,21,23)
InChIKeyUFXCQKHBXZXUQX-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.42
Rot. Bonds6

About N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide

N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 171835725) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID171835725
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)Nc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H17N3O4S/c23-15(6-3-11-22-17(24)9-10-18(22)25)21-16-8-7-13(26-16)19-20-12-4-1-2-5-14(12)27-19/h1-2,4-5,7-8H,3,6,9-11H2,(H,21,23)
InChIKeyUFXCQKHBXZXUQX-UHFFFAOYSA-N
XLogP3.42
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 171835725) is N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide is O=C(CCCN1C(=O)CCC1=O)Nc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is UFXCQKHBXZXUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-15(6-3-11-22-17(24)9-10-18(22)25)21-16-8-7-13(26-16)19-20-12-4-1-2-5-14(12)27-19/h1-2,4-5,7-8H,3,6,9-11H2,(H,21,23).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 383.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 171835725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).