4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine

C18H17FN2O2S2 — CID 133370788

IUPAC4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCC(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17FN2O2S2/c1-12(13-5-9-16(10-6-13)25(2,22)23)20-18-21-17(11-24-18)14-3-7-15(19)8-4-14/h3-12H,1-2H3,(H,20,21)
InChIKeyVYWCYDBRXZDIFT-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.53
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 133370788) has the molecular formula C18H17FN2O2S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID133370788
Molecular FormulaC18H17FN2O2S2
Molecular Weight376.48 g/mol
Exact Mass376.07
IUPAC Name4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCC(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17FN2O2S2/c1-12(13-5-9-16(10-6-13)25(2,22)23)20-18-21-17(11-24-18)14-3-7-15(19)8-4-14/h3-12H,1-2H3,(H,20,21)
InChIKeyVYWCYDBRXZDIFT-UHFFFAOYSA-N
XLogP4.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine (CID 133370788) is 4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine is CC(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is VYWCYDBRXZDIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S2/c1-12(13-5-9-16(10-6-13)25(2,22)23)20-18-21-17(11-24-18)14-3-7-15(19)8-4-14/h3-12H,1-2H3,(H,20,21).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 376.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 133370788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).