2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

C26H26FN3O2S — CID 4236973

IUPAC2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC1Cc2ccccc2N1C(=O)c1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C26H26FN3O2S/c1-17-14-20-4-2-3-5-23(20)30(17)26(32)22-16-33-25(28-22)19-10-12-29(13-11-19)24(31)15-18-6-8-21(27)9-7-18/h2-9,16-17,19H,10-15H2,1H3
InChIKeyPZSSEBMPFOWPSZ-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.82
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 4236973) has the molecular formula C26H26FN3O2S and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID4236973
Molecular FormulaC26H26FN3O2S
Molecular Weight463.58 g/mol
Exact Mass463.17
IUPAC Name2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC1Cc2ccccc2N1C(=O)c1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C26H26FN3O2S/c1-17-14-20-4-2-3-5-23(20)30(17)26(32)22-16-33-25(28-22)19-10-12-29(13-11-19)24(31)15-18-6-8-21(27)9-7-18/h2-9,16-17,19H,10-15H2,1H3
InChIKeyPZSSEBMPFOWPSZ-UHFFFAOYSA-N
XLogP4.82
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (CID 4236973) is 2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is CC1Cc2ccccc2N1C(=O)c1csc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is PZSSEBMPFOWPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2S/c1-17-14-20-4-2-3-5-23(20)30(17)26(32)22-16-33-25(28-22)19-10-12-29(13-11-19)24(31)15-18-6-8-21(27)9-7-18/h2-9,16-17,19H,10-15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 463.58 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 4236973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).