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

C16H21N5OS — CID 6466361

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C16H21N5OS/c1-2-15-18-19-16(23-15)17-14(22)12-20-8-10-21(11-9-20)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,19,22)
InChIKeyKEYYYQCCDTXTGS-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.86
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 6466361) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID6466361
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C16H21N5OS/c1-2-15-18-19-16(23-15)17-14(22)12-20-8-10-21(11-9-20)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,19,22)
InChIKeyKEYYYQCCDTXTGS-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.86
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-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 6466361) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide is CCc1nnc(NC(=O)CN2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is KEYYYQCCDTXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-2-15-18-19-16(23-15)17-14(22)12-20-8-10-21(11-9-20)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,19,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 331.45 g/mol, XLogP of 1.86, 5 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-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6466361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).