5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one

C26H15FN4O2S2 — CID 135711578

IUPAC5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1s/c(=N/c2nc(-c3ccccc3)cs2)n(-c2ccccc2)c1O
InChIInChI=1S/C26H15FN4O2S2/c27-16-11-12-19-18(13-16)21(23(32)28-19)22-24(33)31(17-9-5-2-6-10-17)26(35-22)30-25-29-20(14-34-25)15-7-3-1-4-8-15/h1-14,33H/b30-26+
InChIKeyYNZHEMZWXUOLAY-URGPHPNLSA-N
MW498.56 g/mol
LogP4.10
Rot. Bonds4

About 5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one

5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one (PubChem CID 135711578) has the molecular formula C26H15FN4O2S2 and a molecular weight of 498.56 g/mol. Its IUPAC name is 5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one
PubChem CID135711578
Molecular FormulaC26H15FN4O2S2
Molecular Weight498.56 g/mol
Exact Mass498.06
IUPAC Name5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1s/c(=N/c2nc(-c3ccccc3)cs2)n(-c2ccccc2)c1O
InChIInChI=1S/C26H15FN4O2S2/c27-16-11-12-19-18(13-16)21(23(32)28-19)22-24(33)31(17-9-5-2-6-10-17)26(35-22)30-25-29-20(14-34-25)15-7-3-1-4-8-15/h1-14,33H/b30-26+
InChIKeyYNZHEMZWXUOLAY-URGPHPNLSA-N
XLogP4.10
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71600845
(2E,5Z)-5-benzylidene-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 136217555
1-(2,6-Difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea
CID 23555717
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea
CID 71498945
[4-(3-Aminophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamic acid
CID 166666645
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 172157823
2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2172542
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2168904
(2Z)-2-[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-4-ylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 139235502
(4Z)-5-methyl-4-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one
CID 139235507
(4Z)-4-(3,4-diphenyl-1,3-thiazol-2-ylidene)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one
CID 139235508
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-N-(4-fluorophenyl)propanamide
CID 1287146

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one (CID 135711578) is 5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccc(F)cc2=C1c1s/c(=N/c2nc(-c3ccccc3)cs2)n(-c2ccccc2)c1O.
What is the InChIKey of 5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is YNZHEMZWXUOLAY-URGPHPNLSA-N. The full InChI is InChI=1S/C26H15FN4O2S2/c27-16-11-12-19-18(13-16)21(23(32)28-19)22-24(33)31(17-9-5-2-6-10-17)26(35-22)30-25-29-20(14-34-25)15-7-3-1-4-8-15/h1-14,33H/b30-26+.
What are the key properties of 5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one?
5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 498.56 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(2E)-4-hydroxy-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 135711578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).