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

C14H18N2O2S — CID 110880723

IUPAC2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
SMILESCOc1ccccc1-c1nc(CN(C)CCO)cs1
InChIInChI=1S/C14H18N2O2S/c1-16(7-8-17)9-11-10-19-14(15-11)12-5-3-4-6-13(12)18-2/h3-6,10,17H,7-9H2,1-2H3
InChIKeyNDRMTRPBXGUWIT-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.24
Rot. Bonds6

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

2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol (PubChem CID 110880723) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
PubChem CID110880723
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
SMILESCOc1ccccc1-c1nc(CN(C)CCO)cs1
InChIInChI=1S/C14H18N2O2S/c1-16(7-8-17)9-11-10-19-14(15-11)12-5-3-4-6-13(12)18-2/h3-6,10,17H,7-9H2,1-2H3
InChIKeyNDRMTRPBXGUWIT-UHFFFAOYSA-N
XLogP2.24
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]propanoic acid
CID 119911824
4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 112775383
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 47030264
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 111542481
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 51824517
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromobenzoate
CID 16539995
methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 51173434
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 16522456
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523884

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol (CID 110880723) is 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol is COc1ccccc1-c1nc(CN(C)CCO)cs1.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
The InChIKey is NDRMTRPBXGUWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-16(7-8-17)9-11-10-19-14(15-11)12-5-3-4-6-13(12)18-2/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol?
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol has a molecular weight of 278.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 110880723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).