N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide

C22H30N4OS — CID 46952070

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
SMILESCC1CCN(C(C(=O)Nc2nnc(C3CCCCC3)s2)c2ccccc2)CC1
InChIInChI=1S/C22H30N4OS/c1-16-12-14-26(15-13-16)19(17-8-4-2-5-9-17)20(27)23-22-25-24-21(28-22)18-10-6-3-7-11-18/h2,4-5,8-9,16,18-19H,3,6-7,10-15H2,1H3,(H,23,25,27)
InChIKeyBYHQVWCQUZVKCC-UHFFFAOYSA-N
MW398.58 g/mol
LogP5.00
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide (PubChem CID 46952070) has the molecular formula C22H30N4OS and a molecular weight of 398.58 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
PubChem CID46952070
Molecular FormulaC22H30N4OS
Molecular Weight398.58 g/mol
Exact Mass398.21
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
SMILESCC1CCN(C(C(=O)Nc2nnc(C3CCCCC3)s2)c2ccccc2)CC1
InChIInChI=1S/C22H30N4OS/c1-16-12-14-26(15-13-16)19(17-8-4-2-5-9-17)20(27)23-22-25-24-21(28-22)18-10-6-3-7-11-18/h2,4-5,8-9,16,18-19H,3,6-7,10-15H2,1H3,(H,23,25,27)
InChIKeyBYHQVWCQUZVKCC-UHFFFAOYSA-N
XLogP5.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
CID 46952064
(2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 124582402
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22198267
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71871802
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
CID 35524324
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
(2R)-2-hydroxy-N-[5-[(1S,3S)-3-[5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 90186082
2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 123387917
(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52508589
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide (CID 46952070) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide is CC1CCN(C(C(=O)Nc2nnc(C3CCCCC3)s2)c2ccccc2)CC1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide?
The InChIKey is BYHQVWCQUZVKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4OS/c1-16-12-14-26(15-13-16)19(17-8-4-2-5-9-17)20(27)23-22-25-24-21(28-22)18-10-6-3-7-11-18/h2,4-5,8-9,16,18-19H,3,6-7,10-15H2,1H3,(H,23,25,27).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide has a molecular weight of 398.58 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 46952070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).