2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole

C16H21N3S — CID 97074935

IUPAC2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCCC[C@@H]2CCc2ccccc2)s1
InChIInChI=1S/C16H21N3S/c1-13-17-18-16(20-13)19-12-6-5-9-15(19)11-10-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3/t15-/m1/s1
InChIKeyBEMJVYMAVVNKOK-OAHLLOKOSA-N
MW287.43 g/mol
LogP3.84
Rot. Bonds4

About 2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole

2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 97074935) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID97074935
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCCC[C@@H]2CCc2ccccc2)s1
InChIInChI=1S/C16H21N3S/c1-13-17-18-16(20-13)19-12-6-5-9-15(19)11-10-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3/t15-/m1/s1
InChIKeyBEMJVYMAVVNKOK-OAHLLOKOSA-N
XLogP3.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole (CID 97074935) is 2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole is Cc1nnc(N2CCCC[C@@H]2CCc2ccccc2)s1.
What is the InChIKey of 2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is BEMJVYMAVVNKOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3S/c1-13-17-18-16(20-13)19-12-6-5-9-15(19)11-10-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 287.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 97074935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).