3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one

C21H17FN4O2S — CID 4761853

IUPAC3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(N2CCN(c3ccccc3F)CC2)nc1O
InChIInChI=1S/C21H17FN4O2S/c22-14-6-2-4-8-16(14)25-9-11-26(12-10-25)21-24-20(28)18(29-21)17-13-5-1-3-7-15(13)23-19(17)27/h1-8,28H,9-12H2
InChIKeyWIYHIBAEWDQAQP-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.67
Rot. Bonds3

About 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one

3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (PubChem CID 4761853) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
PubChem CID4761853
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(N2CCN(c3ccccc3F)CC2)nc1O
InChIInChI=1S/C21H17FN4O2S/c22-14-6-2-4-8-16(14)25-9-11-26(12-10-25)21-24-20(28)18(29-21)17-13-5-1-3-7-15(13)23-19(17)27/h1-8,28H,9-12H2
InChIKeyWIYHIBAEWDQAQP-UHFFFAOYSA-N
XLogP1.67
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081618
2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80568894
methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 51119286
2-[4-(2-fluorophenyl)piperazin-1-yl]-4,7-dimethoxy-1,3-benzothiazole
CID 121081717
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 121081547
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
5-(1-acetyl-2-oxoindol-3-ylidene)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 4761869
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751388
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate
CID 3414404

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one (CID 4761853) is 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccccc2=C1c1sc(N2CCN(c3ccccc3F)CC2)nc1O.
What is the InChIKey of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is WIYHIBAEWDQAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c22-14-6-2-4-8-16(14)25-9-11-26(12-10-25)21-24-20(28)18(29-21)17-13-5-1-3-7-15(13)23-19(17)27/h1-8,28H,9-12H2.
What are the key properties of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one?
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 408.46 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-hydroxy-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 4761853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).