N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide

C18H14N4O2S — CID 157020411

IUPACN-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc(-c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C18H14N4O2S/c23-16(10-24-12-6-2-1-3-7-12)22-18-21-15(11-25-18)17-19-13-8-4-5-9-14(13)20-17/h1-9,11H,10H2,(H,19,20)(H,21,22,23)
InChIKeyLANNTAUUYGHVPF-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.70
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide

N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide (PubChem CID 157020411) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
PubChem CID157020411
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1nc(-c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C18H14N4O2S/c23-16(10-24-12-6-2-1-3-7-12)22-18-21-15(11-25-18)17-19-13-8-4-5-9-14(13)20-17/h1-9,11H,10H2,(H,19,20)(H,21,22,23)
InChIKeyLANNTAUUYGHVPF-UHFFFAOYSA-N
XLogP3.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine
CID 14668556
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23859888
[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23802715
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196755
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 64555885
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 112803411
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178615
2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide
CID 63565380
2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8839559

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide (CID 157020411) is N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1nc(-c2nc3ccccc3[nH]2)cs1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is LANNTAUUYGHVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-16(10-24-12-6-2-1-3-7-12)22-18-21-15(11-25-18)17-19-13-8-4-5-9-14(13)20-17/h1-9,11H,10H2,(H,19,20)(H,21,22,23).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide?
N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 350.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 157020411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).