N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide

C14H13N5O2S — CID 539507

IUPACN-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2nc3ccccc3n2C(C)=O)s1
InChIInChI=1S/C14H13N5O2S/c1-8(20)15-14-18-17-13(22-14)7-12-16-10-5-3-4-6-11(10)19(12)9(2)21/h3-6H,7H2,1-2H3,(H,15,18,20)
InChIKeyQUAYRCZRVRGPJD-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.10
Rot. Bonds3

About N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 539507) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID539507
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2nc3ccccc3n2C(C)=O)s1
InChIInChI=1S/C14H13N5O2S/c1-8(20)15-14-18-17-13(22-14)7-12-16-10-5-3-4-6-11(10)19(12)9(2)21/h3-6H,7H2,1-2H3,(H,15,18,20)
InChIKeyQUAYRCZRVRGPJD-UHFFFAOYSA-N
XLogP2.10
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254
N-[5-[2-(5-acetamido-1,3,4-thiadiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2008219
1-(2-diethylphosphanylbenzimidazol-1-yl)ethanone
CID 122452577
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 711646
N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 75465114
2-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamide
CID 175551949
1-(2-iodobenzimidazol-1-yl)ethanone
CID 130056290
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
2-(2-ethylbenzimidazol-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17473566
3-(benzimidazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 86909345
2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 46527260

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 539507) is N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(Cc2nc3ccccc3n2C(C)=O)s1.
What is the InChIKey of N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QUAYRCZRVRGPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-8(20)15-14-18-17-13(22-14)7-12-16-10-5-3-4-6-11(10)19(12)9(2)21/h3-6H,7H2,1-2H3,(H,15,18,20).
What are the key properties of N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 315.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-acetylbenzimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 539507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).