(4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone

C24H24FN3O2S — CID 67176525

IUPAC(4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone
SMILESCNC(C)c1cccc(C(=O)N2CCCC2c2nc(C(=O)c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C24H24FN3O2S/c1-15(26-2)17-5-3-6-18(13-17)24(30)28-12-4-7-21(28)23-27-20(14-31-23)22(29)16-8-10-19(25)11-9-16/h3,5-6,8-11,13-15,21,26H,4,7,12H2,1-2H3
InChIKeyCJBLXQSJBWVCAN-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.77
Rot. Bonds6

About (4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone

(4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone (PubChem CID 67176525) has the molecular formula C24H24FN3O2S and a molecular weight of 437.54 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone
PubChem CID67176525
Molecular FormulaC24H24FN3O2S
Molecular Weight437.54 g/mol
Exact Mass437.16
IUPAC Name(4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone
SMILESCNC(C)c1cccc(C(=O)N2CCCC2c2nc(C(=O)c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C24H24FN3O2S/c1-15(26-2)17-5-3-6-18(13-17)24(30)28-12-4-7-21(28)23-27-20(14-31-23)22(29)16-8-10-19(25)11-9-16/h3,5-6,8-11,13-15,21,26H,4,7,12H2,1-2H3
InChIKeyCJBLXQSJBWVCAN-UHFFFAOYSA-N
XLogP4.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone (CID 67176525) is (4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone is CNC(C)c1cccc(C(=O)N2CCCC2c2nc(C(=O)c3ccc(F)cc3)cs2)c1.
What is the InChIKey of (4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone?
The InChIKey is CJBLXQSJBWVCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2S/c1-15(26-2)17-5-3-6-18(13-17)24(30)28-12-4-7-21(28)23-27-20(14-31-23)22(29)16-8-10-19(25)11-9-16/h3,5-6,8-11,13-15,21,26H,4,7,12H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone?
(4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone has a molecular weight of 437.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-[1-[3-[1-(methylamino)ethyl]benzoyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 67176525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).