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

C20H21N5OS — CID 654874

IUPAC2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C20H21N5OS/c26-18(21-20-23-22-19(27-20)16-7-3-1-4-8-16)15-24-11-13-25(14-12-24)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,23,26)
InChIKeyIEZNQTVXNKLGKY-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.97
Rot. Bonds5

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

2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 654874) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID654874
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C20H21N5OS/c26-18(21-20-23-22-19(27-20)16-7-3-1-4-8-16)15-24-11-13-25(14-12-24)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,23,26)
InChIKeyIEZNQTVXNKLGKY-UHFFFAOYSA-N
XLogP2.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Phenyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea
CID 794903
1-[5-[3-(Dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 46907677
N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide
CID 58430778
2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-(5-phenyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 653858
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
CID 1398515
4-(4-(2,5-dimethylphenyl)piperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 1423527
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 1400972
N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ylacetamide
CID 566975
N-[6-[4-[5-[[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
CID 74982665
US10130633, Example 59
CID 86291852
N-[4-(5-anilino-3-methyl-1,3,4-thiadiazol-3-ium-2-yl)phenyl]acetamide chloride
CID 24789688
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(1-piperidinyl)acetamide
CID 818161

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 654874) is 2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IEZNQTVXNKLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-18(21-20-23-22-19(27-20)16-7-3-1-4-8-16)15-24-11-13-25(14-12-24)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,23,26).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 379.49 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 654874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).