2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile

C7H10N4OS2 — CID 7969635

IUPAC2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
SMILESCOCCNc1nnc(SCC#N)s1
InChIInChI=1S/C7H10N4OS2/c1-12-4-3-9-6-10-11-7(14-6)13-5-2-8/h3-5H2,1H3,(H,9,10)
InChIKeySYGJCXTYLWFNNE-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.21
Rot. Bonds6

About 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile

2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile (PubChem CID 7969635) has the molecular formula C7H10N4OS2 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
PubChem CID7969635
Molecular FormulaC7H10N4OS2
Molecular Weight230.32 g/mol
Exact Mass230.03
IUPAC Name2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
SMILESCOCCNc1nnc(SCC#N)s1
InChIInChI=1S/C7H10N4OS2/c1-12-4-3-9-6-10-11-7(14-6)13-5-2-8/h3-5H2,1H3,(H,9,10)
InChIKeySYGJCXTYLWFNNE-UHFFFAOYSA-N
XLogP1.21
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-N'-methyl-1,3,4-thiadiazole-2,5-diamine
CID 20324759
N-(2-methoxyethyl)-N'-[3-(methylsulfanyl)propyl]-1,3,4-thiadiazole-2,5-diamine
CID 20324760
5-(2,2-difluoroethylsulfanyl)-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 60306327
2-N-(2-methoxyethyl)-1,3,4-thiadiazole-2,5-diamine
CID 20427031
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 7965325
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 7968998
N-carbamoyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969270
(2S)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7969458
(2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7969462
(2S)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 7969464
(2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 7969468
2-[[5-(2-Methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969632

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile (CID 7969635) is 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile is COCCNc1nnc(SCC#N)s1.
What is the InChIKey of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
The InChIKey is SYGJCXTYLWFNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS2/c1-12-4-3-9-6-10-11-7(14-6)13-5-2-8/h3-5H2,1H3,(H,9,10).
What are the key properties of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile has a molecular weight of 230.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile is sourced from PubChem (CID 7969635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).