N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C18H18F2N2O3S — CID 122345663

IUPACN-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(C2SCCN2C(=O)Nc2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C18H18F2N2O3S/c1-24-15-4-3-11(7-16(15)25-2)17-22(5-6-26-17)18(23)21-14-9-12(19)8-13(20)10-14/h3-4,7-10,17H,5-6H2,1-2H3,(H,21,23)
InChIKeyCCSXOWLDGYKVHI-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.26
Rot. Bonds4

About N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide

N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122345663) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122345663
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(C2SCCN2C(=O)Nc2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C18H18F2N2O3S/c1-24-15-4-3-11(7-16(15)25-2)17-22(5-6-26-17)18(23)21-14-9-12(19)8-13(20)10-14/h3-4,7-10,17H,5-6H2,1-2H3,(H,21,23)
InChIKeyCCSXOWLDGYKVHI-UHFFFAOYSA-N
XLogP4.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122329874
N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330644
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone
CID 122345781
2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 45153968
N-(3-ethylphenyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3433728
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
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4080269
(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 99986077
N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359543

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 122345663) is N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccc(C2SCCN2C(=O)Nc2cc(F)cc(F)c2)cc1OC.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is CCSXOWLDGYKVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-24-15-4-3-11(7-16(15)25-2)17-22(5-6-26-17)18(23)21-14-9-12(19)8-13(20)10-14/h3-4,7-10,17H,5-6H2,1-2H3,(H,21,23).
What are the key properties of N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122345663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).