2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride

C15H21Cl2N3OS — CID 82020434

IUPAC2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ccc(OCc2nc(CN3CCNCC3)cs2)cc1
InChIInChI=1S/C15H19N3OS.2ClH/c1-2-4-14(5-3-1)19-11-15-17-13(12-20-15)10-18-8-6-16-7-9-18;;/h1-5,12,16H,6-11H2;2*1H
InChIKeyJVYGYMGWROAFEO-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.97
Rot. Bonds5

About 2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride

2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride (PubChem CID 82020434) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
PubChem CID82020434
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1ccc(OCc2nc(CN3CCNCC3)cs2)cc1
InChIInChI=1S/C15H19N3OS.2ClH/c1-2-4-14(5-3-1)19-11-15-17-13(12-20-15)10-18-8-6-16-7-9-18;;/h1-5,12,16H,6-11H2;2*1H
InChIKeyJVYGYMGWROAFEO-UHFFFAOYSA-N
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82018941
3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120781546
2-[(4-fluorophenoxy)methyl]-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120754970
4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride
CID 120907679
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 112500907
2-(phenoxymethyl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 94283229
4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 112798687
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 120606740
1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909032

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride (CID 82020434) is 2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride is Cl.Cl.c1ccc(OCc2nc(CN3CCNCC3)cs2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
The InChIKey is JVYGYMGWROAFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-2-4-14(5-3-1)19-11-15-17-13(12-20-15)10-18-8-6-16-7-9-18;;/h1-5,12,16H,6-11H2;2*1H.
What are the key properties of 2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 82020434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).