2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide

C20H18N4O2S — CID 134376802

IUPAC2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide
SMILESNC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2sc(=O)[nH]c2c1
InChIInChI=1S/C20H18N4O2S/c21-19(25)10-17-15(8-13-4-2-1-3-5-13)22-12-24(17)11-14-6-7-18-16(9-14)23-20(26)27-18/h1-7,9,12H,8,10-11H2,(H2,21,25)(H,23,26)
InChIKeyPZBFFGYOSWIBIZ-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.45
Rot. Bonds6

About 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide

2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide (PubChem CID 134376802) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide
PubChem CID134376802
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide
SMILESNC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2sc(=O)[nH]c2c1
InChIInChI=1S/C20H18N4O2S/c21-19(25)10-17-15(8-13-4-2-1-3-5-13)22-12-24(17)11-14-6-7-18-16(9-14)23-20(26)27-18/h1-7,9,12H,8,10-11H2,(H2,21,25)(H,23,26)
InChIKeyPZBFFGYOSWIBIZ-UHFFFAOYSA-N
XLogP2.45
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide?
The IUPAC name of 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide (CID 134376802) is 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide.
What is the SMILES notation for 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide?
The canonical SMILES for 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide is NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2sc(=O)[nH]c2c1.
What is the InChIKey of 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide?
The InChIKey is PZBFFGYOSWIBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c21-19(25)10-17-15(8-13-4-2-1-3-5-13)22-12-24(17)11-14-6-7-18-16(9-14)23-20(26)27-18/h1-7,9,12H,8,10-11H2,(H2,21,25)(H,23,26).
What are the key properties of 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide?
2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide has a molecular weight of 378.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide is sourced from PubChem (CID 134376802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).