2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride

C15H18ClN3OS — CID 161305549

IUPAC2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1nc(-c2ccccc2)ns1)[C@@H]1CCCCN1
InChIInChI=1S/C15H17N3OS.ClH/c19-13(12-8-4-5-9-16-12)10-14-17-15(18-20-14)11-6-2-1-3-7-11;/h1-3,6-7,12,16H,4-5,8-10H2;1H/t12-;/m0./s1
InChIKeyNVCMRGUBFTYDAG-YDALLXLXSA-N
MW323.85 g/mol
LogP2.88
Rot. Bonds4

About 2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride

2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride (PubChem CID 161305549) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
PubChem CID161305549
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1nc(-c2ccccc2)ns1)[C@@H]1CCCCN1
InChIInChI=1S/C15H17N3OS.ClH/c19-13(12-8-4-5-9-16-12)10-14-17-15(18-20-14)11-6-2-1-3-7-11;/h1-3,6-7,12,16H,4-5,8-10H2;1H/t12-;/m0./s1
InChIKeyNVCMRGUBFTYDAG-YDALLXLXSA-N
XLogP2.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid
CID 22492184
2-(4-fluoro-1,3-benzothiazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
CID 162211445
1-piperidin-2-yl-2-(1,3-thiazol-2-yl)ethanone
CID 116547771
phenyl(piperidin-2-yl)methanone
CID 19772085
(2,6-diphenyl-4-pyridinyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 174970018
2-(1-methylbenzimidazol-2-yl)-1-piperidin-2-ylethanone
CID 116547792
1-(azepan-2-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 116582553
3-oxo-3-piperidin-2-ylpropanenitrile;2-phenylacetic acid
CID 89483012
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
N-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)oxane-2-carboxamide
CID 138009565
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
The IUPAC name of 2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride (CID 161305549) is 2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride is Cl.O=C(Cc1nc(-c2ccccc2)ns1)[C@@H]1CCCCN1.
What is the InChIKey of 2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
The InChIKey is NVCMRGUBFTYDAG-YDALLXLXSA-N. The full InChI is InChI=1S/C15H17N3OS.ClH/c19-13(12-8-4-5-9-16-12)10-14-17-15(18-20-14)11-6-2-1-3-7-11;/h1-3,6-7,12,16H,4-5,8-10H2;1H/t12-;/m0./s1.
What are the key properties of 2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride?
2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride has a molecular weight of 323.85 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride is sourced from PubChem (CID 161305549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).