2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride

C15H19ClN4O2S — CID 121256380

IUPAC2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1)Nc1nnc(OC2CCNCC2)s1
InChIInChI=1S/C15H18N4O2S.ClH/c20-13(10-11-4-2-1-3-5-11)17-14-18-19-15(22-14)21-12-6-8-16-9-7-12;/h1-5,12,16H,6-10H2,(H,17,18,20);1H
InChIKeyDAPQHOIIIQIJQO-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.27
Rot. Bonds5

About 2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride

2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride (PubChem CID 121256380) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
PubChem CID121256380
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1)Nc1nnc(OC2CCNCC2)s1
InChIInChI=1S/C15H18N4O2S.ClH/c20-13(10-11-4-2-1-3-5-11)17-14-18-19-15(22-14)21-12-6-8-16-9-7-12;/h1-5,12,16H,6-10H2,(H,17,18,20);1H
InChIKeyDAPQHOIIIQIJQO-UHFFFAOYSA-N
XLogP2.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride (CID 121256380) is 2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride is Cl.O=C(Cc1ccccc1)Nc1nnc(OC2CCNCC2)s1.
What is the InChIKey of 2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride?
The InChIKey is DAPQHOIIIQIJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S.ClH/c20-13(10-11-4-2-1-3-5-11)17-14-18-19-15(22-14)21-12-6-8-16-9-7-12;/h1-5,12,16H,6-10H2,(H,17,18,20);1H.
What are the key properties of 2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride?
2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride has a molecular weight of 354.86 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(5-piperidin-4-yloxy-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 121256380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).