4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole

C16H19FN2OS2 — CID 134241368

IUPAC4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole
SMILESCSc1ccc(OCc2csc(C3CCNCC3)n2)c(F)c1
InChIInChI=1S/C16H19FN2OS2/c1-21-13-2-3-15(14(17)8-13)20-9-12-10-22-16(19-12)11-4-6-18-7-5-11/h2-3,8,10-11,18H,4-7,9H2,1H3
InChIKeyWOQZACFKUZAJOJ-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.05
Rot. Bonds5

About 4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole

4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole (PubChem CID 134241368) has the molecular formula C16H19FN2OS2 and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole
PubChem CID134241368
Molecular FormulaC16H19FN2OS2
Molecular Weight338.47 g/mol
Exact Mass338.09
IUPAC Name4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole
SMILESCSc1ccc(OCc2csc(C3CCNCC3)n2)c(F)c1
InChIInChI=1S/C16H19FN2OS2/c1-21-13-2-3-15(14(17)8-13)20-9-12-10-22-16(19-12)11-4-6-18-7-5-11/h2-3,8,10-11,18H,4-7,9H2,1H3
InChIKeyWOQZACFKUZAJOJ-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558226
4-[(3-methyl-4-methylsulfonylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole
CID 71081703
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
1-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-3-fluorophenyl]-N-methylmethanimine
CID 142418782
6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
CID 84639586
2-piperidin-4-yl-4-[[6-(2H-tetrazol-5-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole
CID 66911033
N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine
CID 70946712
4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 55084480
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
4-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 107691593
2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene
CID 22031808

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole (CID 134241368) is 4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole is CSc1ccc(OCc2csc(C3CCNCC3)n2)c(F)c1.
What is the InChIKey of 4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is WOQZACFKUZAJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS2/c1-21-13-2-3-15(14(17)8-13)20-9-12-10-22-16(19-12)11-4-6-18-7-5-11/h2-3,8,10-11,18H,4-7,9H2,1H3.
What are the key properties of 4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole?
4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 338.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-methylsulfanylphenoxy)methyl]-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 134241368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).