3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one

C18H11F3N4O4S2 — CID 155546200

IUPAC3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one
SMILESCC(=O)c1sc(Nc2nc(O)c(C3=c4cc(OC(F)(F)F)ccc4=NC3=O)s2)nc1C
InChIInChI=1S/C18H11F3N4O4S2/c1-6-12(7(2)26)30-16(22-6)25-17-24-15(28)13(31-17)11-9-5-8(29-18(19,20)21)3-4-10(9)23-14(11)27/h3-5,28H,1-2H3,(H,22,24,25)
InChIKeyFTCFPBMXGDUGAB-UHFFFAOYSA-N
MW468.44 g/mol
LogP2.82
Rot. Bonds5

About 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one

3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one (PubChem CID 155546200) has the molecular formula C18H11F3N4O4S2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one.

Molecular Properties

Compound Name3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one
PubChem CID155546200
Molecular FormulaC18H11F3N4O4S2
Molecular Weight468.44 g/mol
Exact Mass468.02
IUPAC Name3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one
SMILESCC(=O)c1sc(Nc2nc(O)c(C3=c4cc(OC(F)(F)F)ccc4=NC3=O)s2)nc1C
InChIInChI=1S/C18H11F3N4O4S2/c1-6-12(7(2)26)30-16(22-6)25-17-24-15(28)13(31-17)11-9-5-8(29-18(19,20)21)3-4-10(9)23-14(11)27/h3-5,28H,1-2H3,(H,22,24,25)
InChIKeyFTCFPBMXGDUGAB-UHFFFAOYSA-N
XLogP2.82
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one?
The IUPAC name of 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one (CID 155546200) is 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one.
What is the SMILES notation for 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one?
The canonical SMILES for 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one is CC(=O)c1sc(Nc2nc(O)c(C3=c4cc(OC(F)(F)F)ccc4=NC3=O)s2)nc1C.
What is the InChIKey of 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one?
The InChIKey is FTCFPBMXGDUGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O4S2/c1-6-12(7(2)26)30-16(22-6)25-17-24-15(28)13(31-17)11-9-5-8(29-18(19,20)21)3-4-10(9)23-14(11)27/h3-5,28H,1-2H3,(H,22,24,25).
What are the key properties of 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one?
3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one has a molecular weight of 468.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-(trifluoromethoxy)indol-2-one is sourced from PubChem (CID 155546200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).