3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole

C18H13N5OS2 — CID 166216217

IUPAC3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1ccsc1)c1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1
InChIInChI=1S/C18H13N5OS2/c1-10(12-4-5-25-7-12)18-22-16(23-24-18)11-2-3-13-14(6-11)21-17(20-13)15-8-26-9-19-15/h2-10H,1H3,(H,20,21)
InChIKeyJBZULSOSIIQISD-UHFFFAOYSA-N
MW379.47 g/mol
LogP4.95
Rot. Bonds4

About 3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole

3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole (PubChem CID 166216217) has the molecular formula C18H13N5OS2 and a molecular weight of 379.47 g/mol. Its IUPAC name is 3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole
PubChem CID166216217
Molecular FormulaC18H13N5OS2
Molecular Weight379.47 g/mol
Exact Mass379.06
IUPAC Name3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1ccsc1)c1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1
InChIInChI=1S/C18H13N5OS2/c1-10(12-4-5-25-7-12)18-22-16(23-24-18)11-2-3-13-14(6-11)21-17(20-13)15-8-26-9-19-15/h2-10H,1H3,(H,20,21)
InChIKeyJBZULSOSIIQISD-UHFFFAOYSA-N
XLogP4.95
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole (CID 166216217) is 3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole is CC(c1ccsc1)c1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1.
What is the InChIKey of 3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole?
The InChIKey is JBZULSOSIIQISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS2/c1-10(12-4-5-25-7-12)18-22-16(23-24-18)11-2-3-13-14(6-11)21-17(20-13)15-8-26-9-19-15/h2-10H,1H3,(H,20,21).
What are the key properties of 3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole?
3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole has a molecular weight of 379.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-5-(1-thiophen-3-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166216217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).