(1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol

C14H18FN3OS — CID 94181797

IUPAC(1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol
SMILESCN(C)c1ncc(CNC[C@H](O)c2ccc(F)cc2)s1
InChIInChI=1S/C14H18FN3OS/c1-18(2)14-17-8-12(20-14)7-16-9-13(19)10-3-5-11(15)6-4-10/h3-6,8,13,16,19H,7,9H2,1-2H3/t13-/m0/s1
InChIKeyRVBMAQOWLJVMCU-ZDUSSCGKSA-N
MW295.38 g/mol
LogP2.17
Rot. Bonds6

About (1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol

(1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 94181797) has the molecular formula C14H18FN3OS and a molecular weight of 295.38 g/mol. Its IUPAC name is (1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol
PubChem CID94181797
Molecular FormulaC14H18FN3OS
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name(1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol
SMILESCN(C)c1ncc(CNC[C@H](O)c2ccc(F)cc2)s1
InChIInChI=1S/C14H18FN3OS/c1-18(2)14-17-8-12(20-14)7-16-9-13(19)10-3-5-11(15)6-4-10/h3-6,8,13,16,19H,7,9H2,1-2H3/t13-/m0/s1
InChIKeyRVBMAQOWLJVMCU-ZDUSSCGKSA-N
XLogP2.17
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol
CID 115592480
5-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753127
5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115655685
1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62848099
1-(4-fluorophenyl)-2-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methylamino]ethanol
CID 119047886
1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol
CID 113223093
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 60761067
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61280625
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
CID 60714901
N-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 62749898
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64912479

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol (CID 94181797) is (1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol is CN(C)c1ncc(CNC[C@H](O)c2ccc(F)cc2)s1.
What is the InChIKey of (1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is RVBMAQOWLJVMCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18FN3OS/c1-18(2)14-17-8-12(20-14)7-16-9-13(19)10-3-5-11(15)6-4-10/h3-6,8,13,16,19H,7,9H2,1-2H3/t13-/m0/s1.
What are the key properties of (1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol?
(1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 295.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 94181797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).