2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide

C8H11N5O2S2 — CID 2630282

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H11N5O2S2/c1-2-3-10-7(15)11-5(14)4-16-8-13-12-6(9)17-8/h2H,1,3-4H2,(H2,9,12)(H2,10,11,14,15)
InChIKeyCALMZJCSQJBGIV-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.22
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 2630282) has the molecular formula C8H11N5O2S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID2630282
Molecular FormulaC8H11N5O2S2
Molecular Weight273.34 g/mol
Exact Mass273.04
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H11N5O2S2/c1-2-3-10-7(15)11-5(14)4-16-8-13-12-6(9)17-8/h2H,1,3-4H2,(H2,9,12)(H2,10,11,14,15)
InChIKeyCALMZJCSQJBGIV-UHFFFAOYSA-N
XLogP0.22
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 1258061
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CID 7797343
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CID 2669646
CID 2669646
CID 16258638
CID 16258638
CID 2663456
CID 2663456
CID 4819970
CID 4819970
CID 7385401
CID 7385401
CID 7760260
CID 7760260
CID 7760263
CID 7760263
CID 7797099
CID 7797099

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide (CID 2630282) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is CALMZJCSQJBGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S2/c1-2-3-10-7(15)11-5(14)4-16-8-13-12-6(9)17-8/h2H,1,3-4H2,(H2,9,12)(H2,10,11,14,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 2630282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).