1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol

C14H17FN2OS — CID 106045212

IUPAC1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol
SMILESCc1nc(CCNCC(O)c2ccc(F)cc2)cs1
InChIInChI=1S/C14H17FN2OS/c1-10-17-13(9-19-10)6-7-16-8-14(18)11-2-4-12(15)5-3-11/h2-5,9,14,16,18H,6-8H2,1H3
InChIKeyKQPGULHWXAVJPX-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.46
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol

1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol (PubChem CID 106045212) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol
PubChem CID106045212
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol
SMILESCc1nc(CCNCC(O)c2ccc(F)cc2)cs1
InChIInChI=1S/C14H17FN2OS/c1-10-17-13(9-19-10)6-7-16-8-14(18)11-2-4-12(15)5-3-11/h2-5,9,14,16,18H,6-8H2,1H3
InChIKeyKQPGULHWXAVJPX-UHFFFAOYSA-N
XLogP2.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94181927
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110353144
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045102
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
N-[2-fluoro-1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 166250206
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64912479

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol (CID 106045212) is 1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol is Cc1nc(CCNCC(O)c2ccc(F)cc2)cs1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol?
The InChIKey is KQPGULHWXAVJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-10-17-13(9-19-10)6-7-16-8-14(18)11-2-4-12(15)5-3-11/h2-5,9,14,16,18H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol?
1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol has a molecular weight of 280.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol is sourced from PubChem (CID 106045212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).