2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride

C16H23Cl2N3OS — CID 82018941

IUPAC2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
SMILESCOc1ccccc1Cc1nc(CN2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-20-15-5-3-2-4-13(15)10-16-18-14(12-21-16)11-19-8-6-17-7-9-19;;/h2-5,12,17H,6-11H2,1H3;2*1H
InChIKeyAPJAZLAIUUVHBV-UHFFFAOYSA-N
MW376.35 g/mol
LogP2.99
Rot. Bonds5

About 2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride

2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride (PubChem CID 82018941) has the molecular formula C16H23Cl2N3OS and a molecular weight of 376.35 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
PubChem CID82018941
Molecular FormulaC16H23Cl2N3OS
Molecular Weight376.35 g/mol
Exact Mass375.09
IUPAC Name2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
SMILESCOc1ccccc1Cc1nc(CN2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-20-15-5-3-2-4-13(15)10-16-18-14(12-21-16)11-19-8-6-17-7-9-19;;/h2-5,12,17H,6-11H2,1H3;2*1H
InChIKeyAPJAZLAIUUVHBV-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82020434
1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089271
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 112798687
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
5-chloro-3-[(2-methoxyphenyl)methyl]-1,2,4-thiadiazole;3-[(2-methoxyphenyl)methyl]-5-piperazin-1-yl-1,2,4-thiadiazole;piperazine
CID 161081833
2-(1,4-diazepan-1-ylmethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 58780378
2-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115089285

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride (CID 82018941) is 2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride is COc1ccccc1Cc1nc(CN2CCNCC2)cs1.Cl.Cl.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
The InChIKey is APJAZLAIUUVHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.2ClH/c1-20-15-5-3-2-4-13(15)10-16-18-14(12-21-16)11-19-8-6-17-7-9-19;;/h2-5,12,17H,6-11H2,1H3;2*1H.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride?
2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride has a molecular weight of 376.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 82018941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).