2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide

C9H15N5O3S2 — CID 7485180

IUPAC2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1nnc(NCCOC)s1
InChIInChI=1S/C9H15N5O3S2/c1-10-7(16)12-6(15)5-18-9-14-13-8(19-9)11-3-4-17-2/h3-5H2,1-2H3,(H,11,13)(H2,10,12,15,16)
InChIKeyVVYFPHGAWNPEQM-UHFFFAOYSA-N
MW305.39 g/mol
LogP0.14
Rot. Bonds7

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

2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide (PubChem CID 7485180) has the molecular formula C9H15N5O3S2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide
PubChem CID7485180
Molecular FormulaC9H15N5O3S2
Molecular Weight305.39 g/mol
Exact Mass305.06
IUPAC Name2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1nnc(NCCOC)s1
InChIInChI=1S/C9H15N5O3S2/c1-10-7(16)12-6(15)5-18-9-14-13-8(19-9)11-3-4-17-2/h3-5H2,1-2H3,(H,11,13)(H2,10,12,15,16)
InChIKeyVVYFPHGAWNPEQM-UHFFFAOYSA-N
XLogP0.14
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide (CID 7485180) is 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1nnc(NCCOC)s1.
What is the InChIKey of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide?
The InChIKey is VVYFPHGAWNPEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S2/c1-10-7(16)12-6(15)5-18-9-14-13-8(19-9)11-3-4-17-2/h3-5H2,1-2H3,(H,11,13)(H2,10,12,15,16).
What are the key properties of 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide?
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide has a molecular weight of 305.39 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 7485180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).