2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide

C11H17N7OS2 — CID 125160819

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCC[C@H](NC(=O)CSc1nnc(N)s1)c1ncnn1CC
InChIInChI=1S/C11H17N7OS2/c1-3-7(9-13-6-14-18(9)4-2)15-8(19)5-20-11-17-16-10(12)21-11/h6-7H,3-5H2,1-2H3,(H2,12,16)(H,15,19)/t7-/m0/s1
InChIKeyHNCOJGAFQMNDGG-ZETCQYMHSA-N
MW327.44 g/mol
LogP1.09
Rot. Bonds7

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 125160819) has the molecular formula C11H17N7OS2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID125160819
Molecular FormulaC11H17N7OS2
Molecular Weight327.44 g/mol
Exact Mass327.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCC[C@H](NC(=O)CSc1nnc(N)s1)c1ncnn1CC
InChIInChI=1S/C11H17N7OS2/c1-3-7(9-13-6-14-18(9)4-2)15-8(19)5-20-11-17-16-10(12)21-11/h6-7H,3-5H2,1-2H3,(H2,12,16)(H,15,19)/t7-/m0/s1
InChIKeyHNCOJGAFQMNDGG-ZETCQYMHSA-N
XLogP1.09
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 40629979
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,4,4-trifluorobutanamide
CID 91796632
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8632074
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
CID 125437788
2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122560853
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8633686
(2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-ethylpropanamide
CID 9199588
methyl (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-2-phenylacetate
CID 7321600
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-(triazol-1-yl)acetamide
CID 126442236
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30687916
3-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-(4-methoxyphenyl)propanoic acid
CID 4109618
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 125440611

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide (CID 125160819) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide is CC[C@H](NC(=O)CSc1nnc(N)s1)c1ncnn1CC.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is HNCOJGAFQMNDGG-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N7OS2/c1-3-7(9-13-6-14-18(9)4-2)15-8(19)5-20-11-17-16-10(12)21-11/h6-7H,3-5H2,1-2H3,(H2,12,16)(H,15,19)/t7-/m0/s1.
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 327.44 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 125160819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).