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

C13H23N5OS — CID 6465949

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2nnc(CC)s2)CC1
InChIInChI=1S/C13H23N5OS/c1-3-5-17-6-8-18(9-7-17)10-11(19)14-13-16-15-12(4-2)20-13/h3-10H2,1-2H3,(H,14,16,19)
InChIKeyNNHXCDMNHXBCJV-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.07
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide (PubChem CID 6465949) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide
PubChem CID6465949
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2nnc(CC)s2)CC1
InChIInChI=1S/C13H23N5OS/c1-3-5-17-6-8-18(9-7-17)10-11(19)14-13-16-15-12(4-2)20-13/h3-10H2,1-2H3,(H,14,16,19)
InChIKeyNNHXCDMNHXBCJV-UHFFFAOYSA-N
XLogP1.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide (CID 6465949) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide is CCCN1CCN(CC(=O)Nc2nnc(CC)s2)CC1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide?
The InChIKey is NNHXCDMNHXBCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-3-5-17-6-8-18(9-7-17)10-11(19)14-13-16-15-12(4-2)20-13/h3-10H2,1-2H3,(H,14,16,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide has a molecular weight of 297.43 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6465949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).