2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol

C18H20N2O3S — CID 111123359

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)N(C)Cc2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C18H20N2O3S/c1-20(16(11-21)13-5-7-15(22-2)8-6-13)10-14-12-24-18(19-14)17-4-3-9-23-17/h3-9,12,16,21H,10-11H2,1-2H3
InChIKeyMBJWETPRMALTTG-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.58
Rot. Bonds7

About 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol (PubChem CID 111123359) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol
PubChem CID111123359
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(CO)N(C)Cc2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C18H20N2O3S/c1-20(16(11-21)13-5-7-15(22-2)8-6-13)10-14-12-24-18(19-14)17-4-3-9-23-17/h3-9,12,16,21H,10-11H2,1-2H3
InChIKeyMBJWETPRMALTTG-UHFFFAOYSA-N
XLogP3.58
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
CID 111488713
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 30749222
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
CID 134033862
2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111122603
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111122549
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359
(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
CID 96540909
1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol
CID 78964237

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol (CID 111123359) is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol is COc1ccc(C(CO)N(C)Cc2csc(-c3ccco3)n2)cc1.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The InChIKey is MBJWETPRMALTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-20(16(11-21)13-5-7-15(22-2)8-6-13)10-14-12-24-18(19-14)17-4-3-9-23-17/h3-9,12,16,21H,10-11H2,1-2H3.
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol?
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol has a molecular weight of 344.44 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 111123359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).