[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride

C19H22ClN5O2S — CID 120630505

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.NCCc1nc(C(=O)N2CCCCC2c2nc(-c3ccccc3)no2)cs1
InChIInChI=1S/C19H21N5O2S.ClH/c20-10-9-16-21-14(12-27-16)19(25)24-11-5-4-8-15(24)18-22-17(23-26-18)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11,20H2;1H
InChIKeyDMTGIBWLALEGFH-UHFFFAOYSA-N
MW419.94 g/mol
LogP3.48
Rot. Bonds5

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 120630505) has the molecular formula C19H22ClN5O2S and a molecular weight of 419.94 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
PubChem CID120630505
Molecular FormulaC19H22ClN5O2S
Molecular Weight419.94 g/mol
Exact Mass419.12
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.NCCc1nc(C(=O)N2CCCCC2c2nc(-c3ccccc3)no2)cs1
InChIInChI=1S/C19H21N5O2S.ClH/c20-10-9-16-21-14(12-27-16)19(25)24-11-5-4-8-15(24)18-22-17(23-26-18)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11,20H2;1H
InChIKeyDMTGIBWLALEGFH-UHFFFAOYSA-N
XLogP3.48
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.94
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389
[1-(2-aminoethyl)triazol-4-yl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97116754
7-amino-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 119770964
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 120632846
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
(4-ethylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4018131
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72877576
(5-amino-2-methylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 120630504
4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide
CID 166193083
(3-chlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 42760612
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
pyrazin-2-yl-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192003

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride (CID 120630505) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride is Cl.NCCc1nc(C(=O)N2CCCCC2c2nc(-c3ccccc3)no2)cs1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is DMTGIBWLALEGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S.ClH/c20-10-9-16-21-14(12-27-16)19(25)24-11-5-4-8-15(24)18-22-17(23-26-18)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11,20H2;1H.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 419.94 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120630505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).