N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine

C18H17FN2OS2 — CID 133372575

IUPACN-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESO=S(CCNc1nc(-c2ccc(F)cc2)cs1)Cc1ccccc1
InChIInChI=1S/C18H17FN2OS2/c19-16-8-6-15(7-9-16)17-12-23-18(21-17)20-10-11-24(22)13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,20,21)
InChIKeyYGQREWJVQLQCAC-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.31
Rot. Bonds7

About N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine

N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 133372575) has the molecular formula C18H17FN2OS2 and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID133372575
Molecular FormulaC18H17FN2OS2
Molecular Weight360.48 g/mol
Exact Mass360.08
IUPAC NameN-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESO=S(CCNc1nc(-c2ccc(F)cc2)cs1)Cc1ccccc1
InChIInChI=1S/C18H17FN2OS2/c19-16-8-6-15(7-9-16)17-12-23-18(21-17)20-10-11-24(22)13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,20,21)
InChIKeyYGQREWJVQLQCAC-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione
CID 59761353
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279
4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 133449438
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 12790440
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
S-(2-bromophenyl) 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethanethioate
CID 25024005
4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 133371519

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 133372575) is N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is O=S(CCNc1nc(-c2ccc(F)cc2)cs1)Cc1ccccc1.
What is the InChIKey of N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is YGQREWJVQLQCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS2/c19-16-8-6-15(7-9-16)17-12-23-18(21-17)20-10-11-24(22)13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,20,21).
What are the key properties of N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 360.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133372575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).