3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol

C15H19FN2OS2 — CID 103685135

IUPAC3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2OS2/c1-10(14(8-19)20-2)17-7-13-9-21-15(18-13)11-3-5-12(16)6-4-11/h3-6,9-10,14,17,19H,7-8H2,1-2H3
InChIKeyRPVZMEAOGCZDTE-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.15
Rot. Bonds7

About 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol

3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol (PubChem CID 103685135) has the molecular formula C15H19FN2OS2 and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol
PubChem CID103685135
Molecular FormulaC15H19FN2OS2
Molecular Weight326.46 g/mol
Exact Mass326.09
IUPAC Name3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2OS2/c1-10(14(8-19)20-2)17-7-13-9-21-15(18-13)11-3-5-12(16)6-4-11/h3-6,9-10,14,17,19H,7-8H2,1-2H3
InChIKeyRPVZMEAOGCZDTE-UHFFFAOYSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79254600
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
2-methylsulfanyl-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111440333
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 103685009
4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 104854722
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]pent-4-yn-2-amine
CID 115660169
methyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-4-methylpentanoate
CID 119165331
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
3-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylamino]-2-methylbutan-1-ol
CID 111448609
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol (CID 103685135) is 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol?
The InChIKey is RPVZMEAOGCZDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS2/c1-10(14(8-19)20-2)17-7-13-9-21-15(18-13)11-3-5-12(16)6-4-11/h3-6,9-10,14,17,19H,7-8H2,1-2H3.
What are the key properties of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol?
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol has a molecular weight of 326.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103685135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).