4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline

C23H28FN3S — CID 141324712

IUPAC4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN2CCC(N3C=CSC3c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H28FN3S/c1-25(2)19-9-7-18(8-10-19)17-26-13-11-20(12-14-26)27-15-16-28-23(27)21-5-3-4-6-22(21)24/h3-10,15-16,20,23H,11-14,17H2,1-2H3
InChIKeyPNIAHCSLHWDTTK-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.07
Rot. Bonds5

About 4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline

4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline (PubChem CID 141324712) has the molecular formula C23H28FN3S and a molecular weight of 397.56 g/mol. Its IUPAC name is 4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline
PubChem CID141324712
Molecular FormulaC23H28FN3S
Molecular Weight397.56 g/mol
Exact Mass397.20
IUPAC Name4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN2CCC(N3C=CSC3c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H28FN3S/c1-25(2)19-9-7-18(8-10-19)17-26-13-11-20(12-14-26)27-15-16-28-23(27)21-5-3-4-6-22(21)24/h3-10,15-16,20,23H,11-14,17H2,1-2H3
InChIKeyPNIAHCSLHWDTTK-UHFFFAOYSA-N
XLogP5.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline (CID 141324712) is 4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CN2CCC(N3C=CSC3c3ccccc3F)CC2)cc1.
What is the InChIKey of 4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline?
The InChIKey is PNIAHCSLHWDTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3S/c1-25(2)19-9-7-18(8-10-19)17-26-13-11-20(12-14-26)27-15-16-28-23(27)21-5-3-4-6-22(21)24/h3-10,15-16,20,23H,11-14,17H2,1-2H3.
What are the key properties of 4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline?
4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline has a molecular weight of 397.56 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(2-fluorophenyl)-2H-1,3-thiazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 141324712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).