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

C25H25FN4O2S — CID 1383834

IUPACN-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1sc(NC(=O)CN2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H25FN4O2S/c1-16-23(28-25(33-16)27-22(31)15-29-11-2-3-12-29)19-6-9-21-18(14-19)10-13-30(21)24(32)17-4-7-20(26)8-5-17/h4-9,14H,2-3,10-13,15H2,1H3,(H,27,28,31)
InChIKeyZTYLEDCTZSQFQX-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.49
Rot. Bonds5

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

N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 1383834) has the molecular formula C25H25FN4O2S and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID1383834
Molecular FormulaC25H25FN4O2S
Molecular Weight464.57 g/mol
Exact Mass464.17
IUPAC NameN-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1sc(NC(=O)CN2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H25FN4O2S/c1-16-23(28-25(33-16)27-22(31)15-29-11-2-3-12-29)19-6-9-21-18(14-19)10-13-30(21)24(32)17-4-7-20(26)8-5-17/h4-9,14H,2-3,10-13,15H2,1H3,(H,27,28,31)
InChIKeyZTYLEDCTZSQFQX-UHFFFAOYSA-N
XLogP4.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (CID 1383834) is N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is Cc1sc(NC(=O)CN2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZTYLEDCTZSQFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2S/c1-16-23(28-25(33-16)27-22(31)15-29-11-2-3-12-29)19-6-9-21-18(14-19)10-13-30(21)24(32)17-4-7-20(26)8-5-17/h4-9,14H,2-3,10-13,15H2,1H3,(H,27,28,31).
What are the key properties of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 464.57 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1383834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).