[2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride

C21H25Cl2N3O3S — CID 120733094

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1sc(-c2ccc(C)o2)nc1C.Cl.Cl
InChIInChI=1S/C21H23N3O3S.2ClH/c1-13-8-9-18(27-13)20-23-14(2)19(28-20)21(25)24-11-10-22-12-16(24)15-6-4-5-7-17(15)26-3;;/h4-9,16,22H,10-12H2,1-3H3;2*1H
InChIKeyGQXLPHBBPBGFMQ-UHFFFAOYSA-N
MW470.42 g/mol
LogP4.66
Rot. Bonds4

About [2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride

[2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride (PubChem CID 120733094) has the molecular formula C21H25Cl2N3O3S and a molecular weight of 470.42 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
PubChem CID120733094
Molecular FormulaC21H25Cl2N3O3S
Molecular Weight470.42 g/mol
Exact Mass469.10
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1sc(-c2ccc(C)o2)nc1C.Cl.Cl
InChIInChI=1S/C21H23N3O3S.2ClH/c1-13-8-9-18(27-13)20-23-14(2)19(28-20)21(25)24-11-10-22-12-16(24)15-6-4-5-7-17(15)26-3;;/h4-9,16,22H,10-12H2,1-3H3;2*1H
InChIKeyGQXLPHBBPBGFMQ-UHFFFAOYSA-N
XLogP4.66
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 120733413
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734216
(1,3-dimethyl-4-nitropyrazol-5-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734599
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120733828
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
(2,5-dimethylpyrazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733241
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120734744
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120739504
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120733114
[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 129349791

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride (CID 120733094) is [2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride is COc1ccccc1C1CNCCN1C(=O)c1sc(-c2ccc(C)o2)nc1C.Cl.Cl.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The InChIKey is GQXLPHBBPBGFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S.2ClH/c1-13-8-9-18(27-13)20-23-14(2)19(28-20)21(25)24-11-10-22-12-16(24)15-6-4-5-7-17(15)26-3;;/h4-9,16,22H,10-12H2,1-3H3;2*1H.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride has a molecular weight of 470.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride is sourced from PubChem (CID 120733094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).