2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide

C17H19N5O2S — CID 134699026

IUPAC2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOC(C)c1nnc(NC(=O)Cn2c(C3CC3)nc3ccccc32)s1
InChIInChI=1S/C17H19N5O2S/c1-10(24-2)16-20-21-17(25-16)19-14(23)9-22-13-6-4-3-5-12(13)18-15(22)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,19,21,23)
InChIKeyKLCDCDYBOQVGCN-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.11
Rot. Bonds6

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

2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 134699026) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID134699026
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOC(C)c1nnc(NC(=O)Cn2c(C3CC3)nc3ccccc32)s1
InChIInChI=1S/C17H19N5O2S/c1-10(24-2)16-20-21-17(25-16)19-14(23)9-22-13-6-4-3-5-12(13)18-15(22)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,19,21,23)
InChIKeyKLCDCDYBOQVGCN-UHFFFAOYSA-N
XLogP3.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 46990812
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 28527293
N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134711049
N-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 86970901
2-(2-cyclopropylbenzimidazol-1-yl)-N-propylacetamide
CID 17028756
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 84571513
(2S)-2-[[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 97095427
2-(2-cyclohexylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028725
2-(2-cyclopropylbenzimidazol-1-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131941468
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 95211780

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 134699026) is 2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide is COC(C)c1nnc(NC(=O)Cn2c(C3CC3)nc3ccccc32)s1.
What is the InChIKey of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KLCDCDYBOQVGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-10(24-2)16-20-21-17(25-16)19-14(23)9-22-13-6-4-3-5-12(13)18-15(22)11-7-8-11/h3-6,10-11H,7-9H2,1-2H3,(H,19,21,23).
What are the key properties of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 134699026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).