N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide

C19H23FN4O2S — CID 46980807

IUPACN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Oc2ccc(F)cc2)CC1)Nc1nnc(C2CCC2)s1
InChIInChI=1S/C19H23FN4O2S/c20-14-4-6-15(7-5-14)26-16-8-10-24(11-9-16)12-17(25)21-19-23-22-18(27-19)13-2-1-3-13/h4-7,13,16H,1-3,8-12H2,(H,21,23,25)
InChIKeyXAGCURYBJRPMOH-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.43
Rot. Bonds6

About N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide (PubChem CID 46980807) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
PubChem CID46980807
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Oc2ccc(F)cc2)CC1)Nc1nnc(C2CCC2)s1
InChIInChI=1S/C19H23FN4O2S/c20-14-4-6-15(7-5-14)26-16-8-10-24(11-9-16)12-17(25)21-19-23-22-18(27-19)13-2-1-3-13/h4-7,13,16H,1-3,8-12H2,(H,21,23,25)
InChIKeyXAGCURYBJRPMOH-UHFFFAOYSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-phenylpiperidin-1-yl)acetamide
CID 46951664
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 22198602
N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
CID 46972422
2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22198267
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195002
2-(2-fluoro-5-methoxyphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(2-fluoro-5-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163388
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 52899109
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749945
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 124749946
2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123350456
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide (CID 46980807) is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide is O=C(CN1CCC(Oc2ccc(F)cc2)CC1)Nc1nnc(C2CCC2)s1.
What is the InChIKey of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
The InChIKey is XAGCURYBJRPMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c20-14-4-6-15(7-5-14)26-16-8-10-24(11-9-16)12-17(25)21-19-23-22-18(27-19)13-2-1-3-13/h4-7,13,16H,1-3,8-12H2,(H,21,23,25).
What are the key properties of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide is sourced from PubChem (CID 46980807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).