[(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone

C15H17N3OS — CID 95739175

IUPAC[(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
SMILESC[C@H]1CCCCN1C(=O)c1nnsc1-c1ccccc1
InChIInChI=1S/C15H17N3OS/c1-11-7-5-6-10-18(11)15(19)13-14(20-17-16-13)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3/t11-/m0/s1
InChIKeyVYNOTWJXOWFXIP-NSHDSACASA-N
MW287.39 g/mol
LogP3.22
Rot. Bonds2

About [(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone

[(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone (PubChem CID 95739175) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is [(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
PubChem CID95739175
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name[(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
SMILESC[C@H]1CCCCN1C(=O)c1nnsc1-c1ccccc1
InChIInChI=1S/C15H17N3OS/c1-11-7-5-6-10-18(11)15(19)13-14(20-17-16-13)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3/t11-/m0/s1
InChIKeyVYNOTWJXOWFXIP-NSHDSACASA-N
XLogP3.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 91118545
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
(2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 82035057
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 104742375
[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 68614089
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 3610141
(2-methylpiperidin-1-yl)-[4-(2-phenylethynyl)phenyl]methanone
CID 24640330
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone (CID 95739175) is [(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone is C[C@H]1CCCCN1C(=O)c1nnsc1-c1ccccc1.
What is the InChIKey of [(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone?
The InChIKey is VYNOTWJXOWFXIP-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-7-5-6-10-18(11)15(19)13-14(20-17-16-13)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone?
[(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone is sourced from PubChem (CID 95739175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).