1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one

C21H20FN3OS — CID 30585345

IUPAC1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CNCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H20FN3OS/c22-17-7-5-16(6-8-17)21-24-18(14-27-21)13-23-12-15-3-9-19(10-4-15)25-11-1-2-20(25)26/h3-10,14,23H,1-2,11-13H2
InChIKeyRKUDTPWQQKSEKP-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.37
Rot. Bonds6

About 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 30585345) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
PubChem CID30585345
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC Name1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CNCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H20FN3OS/c22-17-7-5-16(6-8-17)21-24-18(14-27-21)13-23-12-15-3-9-19(10-4-15)25-11-1-2-20(25)26/h3-10,14,23H,1-2,11-13H2
InChIKeyRKUDTPWQQKSEKP-UHFFFAOYSA-N
XLogP4.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 35545507
N-[(4-fluorophenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9270484
1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one
CID 62760532
1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
3-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589520
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546
1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 28878132
1-[(4-fluorophenyl)methyl]-3-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8943014

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one (CID 30585345) is 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(CNCc2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is RKUDTPWQQKSEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c22-17-7-5-16(6-8-17)21-24-18(14-27-21)13-23-12-15-3-9-19(10-4-15)25-11-1-2-20(25)26/h3-10,14,23H,1-2,11-13H2.
What are the key properties of 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 381.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 30585345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).