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

C12H21N5OS — CID 6465732

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2nnc(C)s2)CC1
InChIInChI=1S/C12H21N5OS/c1-3-4-16-5-7-17(8-6-16)9-11(18)13-12-15-14-10(2)19-12/h3-9H2,1-2H3,(H,13,15,18)
InChIKeyGVPRAYWHCJUSIZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.81
Rot. Bonds5

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide (PubChem CID 6465732) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide
PubChem CID6465732
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2nnc(C)s2)CC1
InChIInChI=1S/C12H21N5OS/c1-3-4-16-5-7-17(8-6-16)9-11(18)13-12-15-14-10(2)19-12/h3-9H2,1-2H3,(H,13,15,18)
InChIKeyGVPRAYWHCJUSIZ-UHFFFAOYSA-N
XLogP0.81
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide (CID 6465732) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide is CCCN1CCN(CC(=O)Nc2nnc(C)s2)CC1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide?
The InChIKey is GVPRAYWHCJUSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-4-16-5-7-17(8-6-16)9-11(18)13-12-15-14-10(2)19-12/h3-9H2,1-2H3,(H,13,15,18).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide has a molecular weight of 283.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6465732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).