N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

C24H23FN4O2S — CID 1383832

IUPACN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1
InChIInChI=1S/C24H23FN4O2S/c25-19-6-2-1-5-18(19)23(31)29-12-9-17-13-16(7-8-21(17)29)20-15-32-24(26-20)27-22(30)14-28-10-3-4-11-28/h1-2,5-8,13,15H,3-4,9-12,14H2,(H,26,27,30)
InChIKeyKYPNRQRUJSJAIR-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.19
Rot. Bonds5

About N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 1383832) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID1383832
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC NameN-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1
InChIInChI=1S/C24H23FN4O2S/c25-19-6-2-1-5-18(19)23(31)29-12-9-17-13-16(7-8-21(17)29)20-15-32-24(26-20)27-22(30)14-28-10-3-4-11-28/h1-2,5-8,13,15H,3-4,9-12,14H2,(H,26,27,30)
InChIKeyKYPNRQRUJSJAIR-UHFFFAOYSA-N
XLogP4.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (CID 1383832) is N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1.
What is the InChIKey of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is KYPNRQRUJSJAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c25-19-6-2-1-5-18(19)23(31)29-12-9-17-13-16(7-8-21(17)29)20-15-32-24(26-20)27-22(30)14-28-10-3-4-11-28/h1-2,5-8,13,15H,3-4,9-12,14H2,(H,26,27,30).
What are the key properties of N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 450.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1383832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).