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

C12H21N5OS — CID 6467563

IUPAC2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(CC)CC2)s1
InChIInChI=1S/C12H21N5OS/c1-3-11-14-15-12(19-11)13-10(18)9-17-7-5-16(4-2)6-8-17/h3-9H2,1-2H3,(H,13,15,18)
InChIKeyCGRCMKFSERRALJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.68
Rot. Bonds5

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

2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6467563) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6467563
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(CC)CC2)s1
InChIInChI=1S/C12H21N5OS/c1-3-11-14-15-12(19-11)13-10(18)9-17-7-5-16(4-2)6-8-17/h3-9H2,1-2H3,(H,13,15,18)
InChIKeyCGRCMKFSERRALJ-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 6467563) is 2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CN2CCN(CC)CC2)s1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CGRCMKFSERRALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-11-14-15-12(19-11)13-10(18)9-17-7-5-16(4-2)6-8-17/h3-9H2,1-2H3,(H,13,15,18).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 283.40 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6467563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).