1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one

C26H24FN5O3S — CID 59626140

IUPAC1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one
SMILESO=C(c1ccc2c(c1)CC(=O)N2c1ccc(F)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChIInChI=1S/C26H24FN5O3S/c27-19-2-4-20(5-3-19)32-22-6-1-17(13-18(22)14-23(32)33)25(34)31-15-21(16-31)29-8-10-30(11-9-29)26(35)24-28-7-12-36-24/h1-7,12-13,21H,8-11,14-16H2
InChIKeyXEYQWRBBXAFKHL-UHFFFAOYSA-N
MW505.58 g/mol
LogP2.79
Rot. Bonds4

About 1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one

1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one (PubChem CID 59626140) has the molecular formula C26H24FN5O3S and a molecular weight of 505.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one
PubChem CID59626140
Molecular FormulaC26H24FN5O3S
Molecular Weight505.58 g/mol
Exact Mass505.16
IUPAC Name1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one
SMILESO=C(c1ccc2c(c1)CC(=O)N2c1ccc(F)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChIInChI=1S/C26H24FN5O3S/c27-19-2-4-20(5-3-19)32-22-6-1-17(13-18(22)14-23(32)33)25(34)31-15-21(16-31)29-8-10-30(11-9-29)26(35)24-28-7-12-36-24/h1-7,12-13,21H,8-11,14-16H2
InChIKeyXEYQWRBBXAFKHL-UHFFFAOYSA-N
XLogP2.79
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one (CID 59626140) is 1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one is O=C(c1ccc2c(c1)CC(=O)N2c1ccc(F)cc1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one?
The InChIKey is XEYQWRBBXAFKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3S/c27-19-2-4-20(5-3-19)32-22-6-1-17(13-18(22)14-23(32)33)25(34)31-15-21(16-31)29-8-10-30(11-9-29)26(35)24-28-7-12-36-24/h1-7,12-13,21H,8-11,14-16H2.
What are the key properties of 1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one?
1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one has a molecular weight of 505.58 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3H-indol-2-one is sourced from PubChem (CID 59626140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).