N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide

C14H16N6OS — CID 56750658

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide
SMILESCC(C(=O)NCCc1nnc(N)s1)n1cnc2ccccc21
InChIInChI=1S/C14H16N6OS/c1-9(20-8-17-10-4-2-3-5-11(10)20)13(21)16-7-6-12-18-19-14(15)22-12/h2-5,8-9H,6-7H2,1H3,(H2,15,19)(H,16,21)
InChIKeyGVXGLZXFKKWTBA-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.39
Rot. Bonds5

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide (PubChem CID 56750658) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide
PubChem CID56750658
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide
SMILESCC(C(=O)NCCc1nnc(N)s1)n1cnc2ccccc21
InChIInChI=1S/C14H16N6OS/c1-9(20-8-17-10-4-2-3-5-11(10)20)13(21)16-7-6-12-18-19-14(15)22-12/h2-5,8-9H,6-7H2,1H3,(H2,15,19)(H,16,21)
InChIKeyGVXGLZXFKKWTBA-UHFFFAOYSA-N
XLogP1.39
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
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(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
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2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide
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2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
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2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876740
methyl 6-[2-(benzimidazol-1-yl)propanoylamino]hexanoate
CID 46429398
(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
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2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
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benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
CID 43063893
2-(benzimidazol-1-yl)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]propanamide
CID 77086029
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide (CID 56750658) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide is CC(C(=O)NCCc1nnc(N)s1)n1cnc2ccccc21.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide?
The InChIKey is GVXGLZXFKKWTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-9(20-8-17-10-4-2-3-5-11(10)20)13(21)16-7-6-12-18-19-14(15)22-12/h2-5,8-9H,6-7H2,1H3,(H2,15,19)(H,16,21).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide has a molecular weight of 316.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide is sourced from PubChem (CID 56750658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).