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

C18H18F2N2O3S — CID 1025606

IUPAC(2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)cc([C@@H]2SCCN2C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C18H18F2N2O3S/c1-24-13-7-11(8-14(10-13)25-2)17-22(5-6-26-17)18(23)21-16-4-3-12(19)9-15(16)20/h3-4,7-10,17H,5-6H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyRLAABPBUTMMCQG-KRWDZBQOSA-N
MW380.42 g/mol
LogP4.26
Rot. Bonds4

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

(2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025606) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is (2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025606
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name(2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(OC)cc([C@@H]2SCCN2C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C18H18F2N2O3S/c1-24-13-7-11(8-14(10-13)25-2)17-22(5-6-26-17)18(23)21-16-4-3-12(19)9-15(16)20/h3-4,7-10,17H,5-6H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyRLAABPBUTMMCQG-KRWDZBQOSA-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

2-(3,5-dimethoxyphenyl)-N-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 42781204
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351
2-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4619225
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
2-(3-chlorophenyl)-N-(2,4-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3328516
2-(3,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4572811
(2R)-N-(2,6-dichlorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025688
(2S)-2-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025660
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7349968
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025606) is (2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1cc(OC)cc([C@@H]2SCCN2C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of (2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is RLAABPBUTMMCQG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-24-13-7-11(8-14(10-13)25-2)17-22(5-6-26-17)18(23)21-16-4-3-12(19)9-15(16)20/h3-4,7-10,17H,5-6H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-N-(2,4-difluorophenyl)-2-(3,5-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 (2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).