2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide

C18H14N6O2S — CID 25285477

IUPAC2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C18H14N6O2S/c25-17(19-7-12-8-23-5-6-27-18(23)21-12)14-10-26-16(22-14)9-24-11-20-13-3-1-2-4-15(13)24/h1-6,8,10-11H,7,9H2,(H,19,25)
InChIKeyALZRNMBOZLYZDQ-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.71
Rot. Bonds5

About 2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide

2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 25285477) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID25285477
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C18H14N6O2S/c25-17(19-7-12-8-23-5-6-27-18(23)21-12)14-10-26-16(22-14)9-24-11-20-13-3-1-2-4-15(13)24/h1-6,8,10-11H,7,9H2,(H,19,25)
InChIKeyALZRNMBOZLYZDQ-UHFFFAOYSA-N
XLogP2.71
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide (CID 25285477) is 2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1cn2ccsc2n1)c1coc(Cn2cnc3ccccc32)n1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ALZRNMBOZLYZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c25-17(19-7-12-8-23-5-6-27-18(23)21-12)14-10-26-16(22-14)9-24-11-20-13-3-1-2-4-15(13)24/h1-6,8,10-11H,7,9H2,(H,19,25).
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25285477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).