1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol

C15H18F2N2OS — CID 111614486

IUPAC1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
SMILESCCc1cnc(CN(C)CC(O)c2c(F)cccc2F)s1
InChIInChI=1S/C15H18F2N2OS/c1-3-10-7-18-14(21-10)9-19(2)8-13(20)15-11(16)5-4-6-12(15)17/h4-7,13,20H,3,8-9H2,1-2H3
InChIKeyQIXISRMVHYVDAD-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.15
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol

1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol (PubChem CID 111614486) has the molecular formula C15H18F2N2OS and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
PubChem CID111614486
Molecular FormulaC15H18F2N2OS
Molecular Weight312.38 g/mol
Exact Mass312.11
IUPAC Name1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
SMILESCCc1cnc(CN(C)CC(O)c2c(F)cccc2F)s1
InChIInChI=1S/C15H18F2N2OS/c1-3-10-7-18-14(21-10)9-19(2)8-13(20)15-11(16)5-4-6-12(15)17/h4-7,13,20H,3,8-9H2,1-2H3
InChIKeyQIXISRMVHYVDAD-UHFFFAOYSA-N
XLogP3.15
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
CID 111614469
1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 110903423
1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 111113593
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 138992824
1-(2,6-difluorophenyl)-2-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 110913203
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 84593989
2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110897812
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 110898303
3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982924
1-(2,6-difluorophenyl)-2-[2-(3-fluorophenoxy)ethyl-methylamino]ethanol
CID 53350267
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 119954141
5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120898349

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol (CID 111614486) is 1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol is CCc1cnc(CN(C)CC(O)c2c(F)cccc2F)s1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol?
The InChIKey is QIXISRMVHYVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-3-10-7-18-14(21-10)9-19(2)8-13(20)15-11(16)5-4-6-12(15)17/h4-7,13,20H,3,8-9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol?
1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol has a molecular weight of 312.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol is sourced from PubChem (CID 111614486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).