2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide

C27H33N5OS — CID 22198267

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C27H33N5OS/c33-24(28-27-30-29-26(34-27)23-14-8-3-9-15-23)20-31-16-18-32(19-17-31)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,23,25H,3,8-9,14-20H2,(H,28,30,33)
InChIKeyXNTVDJKZWWOHEE-UHFFFAOYSA-N
MW475.66 g/mol
LogP4.93
Rot. Bonds7

About 2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 22198267) has the molecular formula C27H33N5OS and a molecular weight of 475.66 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID22198267
Molecular FormulaC27H33N5OS
Molecular Weight475.66 g/mol
Exact Mass475.24
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C27H33N5OS/c33-24(28-27-30-29-26(34-27)23-14-8-3-9-15-23)20-31-16-18-32(19-17-31)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,23,25H,3,8-9,14-20H2,(H,28,30,33)
InChIKeyXNTVDJKZWWOHEE-UHFFFAOYSA-N
XLogP4.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperidin-1-yl)acetamide
CID 46951664
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
CID 46952064
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195002
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 22198602
2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24823686
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 51044347
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 46952070
2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3505849
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1180198
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 5154361
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807587

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide (CID 22198267) is 2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XNTVDJKZWWOHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5OS/c33-24(28-27-30-29-26(34-27)23-14-8-3-9-15-23)20-31-16-18-32(19-17-31)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,23,25H,3,8-9,14-20H2,(H,28,30,33).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 475.66 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 22198267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).