N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C23H21FN2O2S — CID 4170516

IUPACN-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCSC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21FN2O2S/c24-19-7-4-8-20(15-19)25-23(27)26-13-14-29-22(26)18-9-11-21(12-10-18)28-16-17-5-2-1-3-6-17/h1-12,15,22H,13-14,16H2,(H,25,27)
InChIKeyGZDSBKJFTNGVGP-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.68
Rot. Bonds5

About N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide

N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4170516) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID4170516
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC NameN-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCSC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21FN2O2S/c24-19-7-4-8-20(15-19)25-23(27)26-13-14-29-22(26)18-9-11-21(12-10-18)28-16-17-5-2-1-3-6-17/h1-12,15,22H,13-14,16H2,(H,25,27)
InChIKeyGZDSBKJFTNGVGP-UHFFFAOYSA-N
XLogP5.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4047301
2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122328956
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
N-(3-ethylphenyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3433728
(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4568755
N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572857
1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263286
1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263285
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331378
N-(3-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carboxamide
CID 3329326

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 4170516) is N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1cccc(F)c1)N1CCSC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is GZDSBKJFTNGVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c24-19-7-4-8-20(15-19)25-23(27)26-13-14-29-22(26)18-9-11-21(12-10-18)28-16-17-5-2-1-3-6-17/h1-12,15,22H,13-14,16H2,(H,25,27).
What are the key properties of N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4170516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).