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

C9H14N4OS — CID 82176640

IUPACN-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(C2CCCNC2)s1
InChIInChI=1S/C9H14N4OS/c1-6(14)11-9-13-12-8(15-9)7-3-2-4-10-5-7/h7,10H,2-5H2,1H3,(H,11,13,14)
InChIKeyPTZVPVTYOJZBIC-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.96
Rot. Bonds2

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

N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 82176640) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID82176640
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(C2CCCNC2)s1
InChIInChI=1S/C9H14N4OS/c1-6(14)11-9-13-12-8(15-9)7-3-2-4-10-5-7/h7,10H,2-5H2,1H3,(H,11,13,14)
InChIKeyPTZVPVTYOJZBIC-UHFFFAOYSA-N
XLogP0.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 82176640) is N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)Nc1nnc(C2CCCNC2)s1.
What is the InChIKey of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PTZVPVTYOJZBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6(14)11-9-13-12-8(15-9)7-3-2-4-10-5-7/h7,10H,2-5H2,1H3,(H,11,13,14).
What are the key properties of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 226.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 82176640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).