(2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide

C22H23FN4OS — CID 124582402

IUPAC(2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
SMILESCC1CCN([C@@H](C(=O)Nc2nnc(-c3ccccc3F)s2)c2ccccc2)CC1
InChIInChI=1S/C22H23FN4OS/c1-15-11-13-27(14-12-15)19(16-7-3-2-4-8-16)20(28)24-22-26-25-21(29-22)17-9-5-6-10-18(17)23/h2-10,15,19H,11-14H2,1H3,(H,24,26,28)/t19-/m1/s1
InChIKeyVSDWZDVJGDNGRV-LJQANCHMSA-N
MW410.52 g/mol
LogP4.76
Rot. Bonds5

About (2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide

(2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide (PubChem CID 124582402) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is (2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
PubChem CID124582402
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC Name(2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
SMILESCC1CCN([C@@H](C(=O)Nc2nnc(-c3ccccc3F)s2)c2ccccc2)CC1
InChIInChI=1S/C22H23FN4OS/c1-15-11-13-27(14-12-15)19(16-7-3-2-4-8-16)20(28)24-22-26-25-21(29-22)17-9-5-6-10-18(17)23/h2-10,15,19H,11-14H2,1H3,(H,24,26,28)/t19-/m1/s1
InChIKeyVSDWZDVJGDNGRV-LJQANCHMSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 46952070
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
CID 46952064
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 808856
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71871802
2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
tert-butyl 4-[2-[[5-[4-[5-[[(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxo-1-phenylethyl]piperazine-1-carboxylate
CID 145168259
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55815883

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide (CID 124582402) is (2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide is CC1CCN([C@@H](C(=O)Nc2nnc(-c3ccccc3F)s2)c2ccccc2)CC1.
What is the InChIKey of (2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide?
The InChIKey is VSDWZDVJGDNGRV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-15-11-13-27(14-12-15)19(16-7-3-2-4-8-16)20(28)24-22-26-25-21(29-22)17-9-5-6-10-18(17)23/h2-10,15,19H,11-14H2,1H3,(H,24,26,28)/t19-/m1/s1.
What are the key properties of (2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide?
(2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide has a molecular weight of 410.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 124582402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).