N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide

C23H25FN2O3S — CID 24986399

IUPACN-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OCc2nc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C23H25FN2O3S/c1-23(2,3)22(27)26(18-7-5-16(24)6-8-18)13-17-15-30-21(25-17)14-29-20-11-9-19(28-4)10-12-20/h5-12,15H,13-14H2,1-4H3
InChIKeyRLEITNPNDXFPOT-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.45
Rot. Bonds7

About N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide

N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 24986399) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID24986399
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC NameN-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OCc2nc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C23H25FN2O3S/c1-23(2,3)22(27)26(18-7-5-16(24)6-8-18)13-17-15-30-21(25-17)14-29-20-11-9-19(28-4)10-12-20/h5-12,15H,13-14H2,1-4H3
InChIKeyRLEITNPNDXFPOT-UHFFFAOYSA-N
XLogP5.45
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide (CID 24986399) is N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide is COc1ccc(OCc2nc(CN(C(=O)C(C)(C)C)c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is RLEITNPNDXFPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-23(2,3)22(27)26(18-7-5-16(24)6-8-18)13-17-15-30-21(25-17)14-29-20-11-9-19(28-4)10-12-20/h5-12,15H,13-14H2,1-4H3.
What are the key properties of N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide?
N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 428.53 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24986399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).