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

C7H12N4OS2 — CID 8633017

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C7H12N4OS2/c1-4(2)9-5(12)3-13-7-11-10-6(8)14-7/h4H,3H2,1-2H3,(H2,8,10)(H,9,12)
InChIKeyVVWVLVNAPBZNQR-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.74
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 8633017) has the molecular formula C7H12N4OS2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID8633017
Molecular FormulaC7H12N4OS2
Molecular Weight232.33 g/mol
Exact Mass232.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C7H12N4OS2/c1-4(2)9-5(12)3-13-7-11-10-6(8)14-7/h4H,3H2,1-2H3,(H2,8,10)(H,9,12)
InChIKeyVVWVLVNAPBZNQR-UHFFFAOYSA-N
XLogP0.74
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide (CID 8633017) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is VVWVLVNAPBZNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS2/c1-4(2)9-5(12)3-13-7-11-10-6(8)14-7/h4H,3H2,1-2H3,(H2,8,10)(H,9,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 232.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 8633017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).