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

C12H20N4O2S3 — CID 2513581

IUPAC2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(SCC(=O)NC(C)C)s1
InChIInChI=1S/C12H20N4O2S3/c1-7(2)13-9(17)5-19-11-15-16-12(21-11)20-6-10(18)14-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyJYFDFLUPTNOCBE-UHFFFAOYSA-N
MW348.52 g/mol
LogP1.77
Rot. Bonds8

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

2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 2513581) has the molecular formula C12H20N4O2S3 and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
PubChem CID2513581
Molecular FormulaC12H20N4O2S3
Molecular Weight348.52 g/mol
Exact Mass348.07
IUPAC Name2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(SCC(=O)NC(C)C)s1
InChIInChI=1S/C12H20N4O2S3/c1-7(2)13-9(17)5-19-11-15-16-12(21-11)20-6-10(18)14-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyJYFDFLUPTNOCBE-UHFFFAOYSA-N
XLogP1.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (CID 2513581) is 2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nnc(SCC(=O)NC(C)C)s1.
What is the InChIKey of 2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is JYFDFLUPTNOCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S3/c1-7(2)13-9(17)5-19-11-15-16-12(21-11)20-6-10(18)14-8(3)4/h7-8H,5-6H2,1-4H3,(H,13,17)(H,14,18).
What are the key properties of 2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 348.52 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2513581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).