2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C7H12N4OS2 — CID 17400886

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCNc1nnc(SC(C)C(N)=O)s1
InChIInChI=1S/C7H12N4OS2/c1-3-9-6-10-11-7(14-6)13-4(2)5(8)12/h4H,3H2,1-2H3,(H2,8,12)(H,9,10)
InChIKeyIESZDJXVJNFMHD-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.94
Rot. Bonds5

About 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 17400886) has the molecular formula C7H12N4OS2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID17400886
Molecular FormulaC7H12N4OS2
Molecular Weight232.33 g/mol
Exact Mass232.05
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCNc1nnc(SC(C)C(N)=O)s1
InChIInChI=1S/C7H12N4OS2/c1-3-9-6-10-11-7(14-6)13-4(2)5(8)12/h4H,3H2,1-2H3,(H2,8,12)(H,9,10)
InChIKeyIESZDJXVJNFMHD-UHFFFAOYSA-N
XLogP0.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 17400886) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CCNc1nnc(SC(C)C(N)=O)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is IESZDJXVJNFMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS2/c1-3-9-6-10-11-7(14-6)13-4(2)5(8)12/h4H,3H2,1-2H3,(H2,8,12)(H,9,10).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 232.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 17400886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).