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

C8H13N5O2S2 — CID 7760263

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H13N5O2S2/c1-2-3-10-7(15)11-5(14)4-16-8-13-12-6(9)17-8/h2-4H2,1H3,(H2,9,12)(H2,10,11,14,15)
InChIKeyKAXIDACZARWHGD-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.45
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide (PubChem CID 7760263) has the molecular formula C8H13N5O2S2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
PubChem CID7760263
Molecular FormulaC8H13N5O2S2
Molecular Weight275.36 g/mol
Exact Mass275.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C8H13N5O2S2/c1-2-3-10-7(15)11-5(14)4-16-8-13-12-6(9)17-8/h2-4H2,1H3,(H2,9,12)(H2,10,11,14,15)
InChIKeyKAXIDACZARWHGD-UHFFFAOYSA-N
XLogP0.45
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide (CID 7760263) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
The InChIKey is KAXIDACZARWHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S2/c1-2-3-10-7(15)11-5(14)4-16-8-13-12-6(9)17-8/h2-4H2,1H3,(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-(propylcarbamoyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide has a molecular weight of 275.36 g/mol, XLogP of 0.45, 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-(propylcarbamoyl)acetamide is sourced from PubChem (CID 7760263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).