2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol

C16H19FN2O2S — CID 60510275

IUPAC2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1csc(COc2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C16H19FN2O2S/c17-12-1-5-15(6-2-12)21-10-16-18-13(11-22-16)9-19(7-8-20)14-3-4-14/h1-2,5-6,11,14,20H,3-4,7-10H2
InChIKeySJKQTKQEZQHKQH-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.82
Rot. Bonds8

About 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol

2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol (PubChem CID 60510275) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol
PubChem CID60510275
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1csc(COc2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C16H19FN2O2S/c17-12-1-5-15(6-2-12)21-10-16-18-13(11-22-16)9-19(7-8-20)14-3-4-14/h1-2,5-6,11,14,20H,3-4,7-10H2
InChIKeySJKQTKQEZQHKQH-UHFFFAOYSA-N
XLogP2.82
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol with MolForge

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Related Compounds

4-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]amino]butan-1-ol
CID 111457010
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methoxy-1-phenylmethanamine
CID 166205958
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-cyclopropylpropanamide
CID 46008391
N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55076744
1-cyclopropyl-3-ethyl-1-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 24714685
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 24714431
2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol
CID 56813292
2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol
CID 110908638
N-(1,3-benzothiazol-2-ylmethyl)-1-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 17411684
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 18276480
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-fluoro-N-(3-methoxypropyl)benzamide
CID 42682425

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol (CID 60510275) is 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol is OCCN(Cc1csc(COc2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol?
The InChIKey is SJKQTKQEZQHKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c17-12-1-5-15(6-2-12)21-10-16-18-13(11-22-16)9-19(7-8-20)14-3-4-14/h1-2,5-6,11,14,20H,3-4,7-10H2.
What are the key properties of 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol?
2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol has a molecular weight of 322.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 60510275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).