N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C16H12N4O3S2 — CID 4144800

IUPACN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C16H12N4O3S2/c21-12(7-20-13(22)5-6-14(20)23)19-16-18-10(8-24-16)15-17-9-3-1-2-4-11(9)25-15/h1-4,8H,5-7H2,(H,18,19,21)
InChIKeyBJNWEPVNEVELEF-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.51
Rot. Bonds4

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

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 4144800) has the molecular formula C16H12N4O3S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID4144800
Molecular FormulaC16H12N4O3S2
Molecular Weight372.43 g/mol
Exact Mass372.04
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C16H12N4O3S2/c21-12(7-20-13(22)5-6-14(20)23)19-16-18-10(8-24-16)15-17-9-3-1-2-4-11(9)25-15/h1-4,8H,5-7H2,(H,18,19,21)
InChIKeyBJNWEPVNEVELEF-UHFFFAOYSA-N
XLogP2.51
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 4144800) is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1nc(-c2nc3ccccc3s2)cs1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is BJNWEPVNEVELEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S2/c21-12(7-20-13(22)5-6-14(20)23)19-16-18-10(8-24-16)15-17-9-3-1-2-4-11(9)25-15/h1-4,8H,5-7H2,(H,18,19,21).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 372.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 4144800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).