(4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone

C17H21N3OS — CID 25380201

IUPAC(4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCC[C@H](CCc2ccccc2)C1
InChIInChI=1S/C17H21N3OS/c1-13-16(22-19-18-13)17(21)20-11-5-8-15(12-20)10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3/t15-/m1/s1
InChIKeyQHIDEXWSIIDTFE-OAHLLOKOSA-N
MW315.44 g/mol
LogP3.33
Rot. Bonds4

About (4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone

(4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 25380201) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID25380201
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESCc1nnsc1C(=O)N1CCC[C@H](CCc2ccccc2)C1
InChIInChI=1S/C17H21N3OS/c1-13-16(22-19-18-13)17(21)20-11-5-8-15(12-20)10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3/t15-/m1/s1
InChIKeyQHIDEXWSIIDTFE-OAHLLOKOSA-N
XLogP3.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone (CID 25380201) is (4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone is Cc1nnsc1C(=O)N1CCC[C@H](CCc2ccccc2)C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is QHIDEXWSIIDTFE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-16(22-19-18-13)17(21)20-11-5-8-15(12-20)10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3/t15-/m1/s1.
What are the key properties of (4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone?
(4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 315.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 25380201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).