N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide

C12H20N4O2S2 — CID 56889764

IUPACN-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide
SMILESCc1nnc(SCCCNC(=O)CC2COCCN2)s1
InChIInChI=1S/C12H20N4O2S2/c1-9-15-16-12(20-9)19-6-2-3-14-11(17)7-10-8-18-5-4-13-10/h10,13H,2-8H2,1H3,(H,14,17)
InChIKeyVSKVJVWHTFZKAN-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.82
Rot. Bonds7

About N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide

N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide (PubChem CID 56889764) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide
PubChem CID56889764
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC NameN-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide
SMILESCc1nnc(SCCCNC(=O)CC2COCCN2)s1
InChIInChI=1S/C12H20N4O2S2/c1-9-15-16-12(20-9)19-6-2-3-14-11(17)7-10-8-18-5-4-13-10/h10,13H,2-8H2,1H3,(H,14,17)
InChIKeyVSKVJVWHTFZKAN-UHFFFAOYSA-N
XLogP0.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide (CID 56889764) is N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide is Cc1nnc(SCCCNC(=O)CC2COCCN2)s1.
What is the InChIKey of N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide?
The InChIKey is VSKVJVWHTFZKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c1-9-15-16-12(20-9)19-6-2-3-14-11(17)7-10-8-18-5-4-13-10/h10,13H,2-8H2,1H3,(H,14,17).
What are the key properties of N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide?
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide has a molecular weight of 316.45 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 56889764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).