N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C19H21FN2O4S — CID 122330644

IUPACN-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)c(C2SCCN2C(=O)Nc2cccc(F)c2)cc1OC
InChIInChI=1S/C19H21FN2O4S/c1-24-15-11-17(26-3)16(25-2)10-14(15)18-22(7-8-27-18)19(23)21-13-6-4-5-12(20)9-13/h4-6,9-11,18H,7-8H2,1-3H3,(H,21,23)
InChIKeyIYHJKNYUDBUHLZ-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.13
Rot. Bonds5

About N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122330644) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122330644
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)c(C2SCCN2C(=O)Nc2cccc(F)c2)cc1OC
InChIInChI=1S/C19H21FN2O4S/c1-24-15-11-17(26-3)16(25-2)10-14(15)18-22(7-8-27-18)19(23)21-13-6-4-5-12(20)9-13/h4-6,9-11,18H,7-8H2,1-3H3,(H,21,23)
InChIKeyIYHJKNYUDBUHLZ-UHFFFAOYSA-N
XLogP4.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330698
N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330645
N-(3-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carboxamide
CID 3329326
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122345663
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
(2S,3S)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503646
(2S,3R)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503644
2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122328956
2-(5-bromo-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330064
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 122330644) is N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1cc(OC)c(C2SCCN2C(=O)Nc2cccc(F)c2)cc1OC.
What is the InChIKey of N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is IYHJKNYUDBUHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-24-15-11-17(26-3)16(25-2)10-14(15)18-22(7-8-27-18)19(23)21-13-6-4-5-12(20)9-13/h4-6,9-11,18H,7-8H2,1-3H3,(H,21,23).
What are the key properties of N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122330644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).