2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C11H18N4O2S — CID 652903

IUPAC2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN2CCOCC2)s1
InChIInChI=1S/C11H18N4O2S/c1-2-3-10-13-14-11(18-10)12-9(16)8-15-4-6-17-7-5-15/h2-8H2,1H3,(H,12,14,16)
InChIKeyQHGQNVROJRSFMO-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.76
Rot. Bonds5

About 2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 652903) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID652903
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CN2CCOCC2)s1
InChIInChI=1S/C11H18N4O2S/c1-2-3-10-13-14-11(18-10)12-9(16)8-15-4-6-17-7-5-15/h2-8H2,1H3,(H,12,14,16)
InChIKeyQHGQNVROJRSFMO-UHFFFAOYSA-N
XLogP0.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 652903) is 2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CN2CCOCC2)s1.
What is the InChIKey of 2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QHGQNVROJRSFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-3-10-13-14-11(18-10)12-9(16)8-15-4-6-17-7-5-15/h2-8H2,1H3,(H,12,14,16).
What are the key properties of 2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 270.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 652903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).