2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole

C18H15FN2O2S2 — CID 9356449

IUPAC2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(-c4cccc(F)c4)n3)ccc21
InChIInChI=1S/C18H15FN2O2S2/c1-25(22,23)21-8-7-13-9-12(5-6-17(13)21)16-11-24-18(20-16)14-3-2-4-15(19)10-14/h2-6,9-11H,7-8H2,1H3
InChIKeySWWGOSKXEIIYMY-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.94
Rot. Bonds3

About 2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole

2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole (PubChem CID 9356449) has the molecular formula C18H15FN2O2S2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
PubChem CID9356449
Molecular FormulaC18H15FN2O2S2
Molecular Weight374.46 g/mol
Exact Mass374.06
IUPAC Name2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(-c4cccc(F)c4)n3)ccc21
InChIInChI=1S/C18H15FN2O2S2/c1-25(22,23)21-8-7-13-9-12(5-6-17(13)21)16-11-24-18(20-16)14-3-2-4-15(19)10-14/h2-6,9-11H,7-8H2,1H3
InChIKeySWWGOSKXEIIYMY-UHFFFAOYSA-N
XLogP3.94
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole (CID 9356449) is 2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole is CS(=O)(=O)N1CCc2cc(-c3csc(-c4cccc(F)c4)n3)ccc21.
What is the InChIKey of 2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole?
The InChIKey is SWWGOSKXEIIYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S2/c1-25(22,23)21-8-7-13-9-12(5-6-17(13)21)16-11-24-18(20-16)14-3-2-4-15(19)10-14/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole?
2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole has a molecular weight of 374.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole is sourced from PubChem (CID 9356449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).