[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride

C18H26Cl2N4O3S — CID 119881237

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)cs1
InChIInChI=1S/C18H24N4O3S.2ClH/c19-10-17-20-16(13-26-17)18(24)22-8-6-21(7-9-22)11-14(23)12-25-15-4-2-1-3-5-15;;/h1-5,13-14,23H,6-12,19H2;2*1H
InChIKeyFLJLYMBNVBPPGZ-UHFFFAOYSA-N
MW449.40 g/mol
LogP1.64
Rot. Bonds7

About [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride

[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119881237) has the molecular formula C18H26Cl2N4O3S and a molecular weight of 449.40 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119881237
Molecular FormulaC18H26Cl2N4O3S
Molecular Weight449.40 g/mol
Exact Mass448.11
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)cs1
InChIInChI=1S/C18H24N4O3S.2ClH/c19-10-17-20-16(13-26-17)18(24)22-8-6-21(7-9-22)11-14(23)12-25-15-4-2-1-3-5-15;;/h1-5,13-14,23H,6-12,19H2;2*1H
InChIKeyFLJLYMBNVBPPGZ-UHFFFAOYSA-N
XLogP1.64
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119855927
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
(2-bromophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;hydrochloride
CID 123132402
(2S)-2-amino-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119881223
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119828205
(2S)-2-amino-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]butan-1-one
CID 119881232
(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone
CID 119881234
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 119834689
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119829444
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride (CID 119881237) is [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NCc1nc(C(=O)N2CCN(CC(O)COc3ccccc3)CC2)cs1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is FLJLYMBNVBPPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S.2ClH/c19-10-17-20-16(13-26-17)18(24)22-8-6-21(7-9-22)11-14(23)12-25-15-4-2-1-3-5-15;;/h1-5,13-14,23H,6-12,19H2;2*1H.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride?
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 449.40 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119881237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).