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

C18H19FN2O3S — CID 7349968

IUPAC(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(NC(=O)N2CCS[C@H]2c2ccccc2F)cc(OC)c1
InChIInChI=1S/C18H19FN2O3S/c1-23-13-9-12(10-14(11-13)24-2)20-18(22)21-7-8-25-17(21)15-5-3-4-6-16(15)19/h3-6,9-11,17H,7-8H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyCUHCXGCIAQESBC-KRWDZBQOSA-N
MW362.43 g/mol
LogP4.12
Rot. Bonds4

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

(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 7349968) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID7349968
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(NC(=O)N2CCS[C@H]2c2ccccc2F)cc(OC)c1
InChIInChI=1S/C18H19FN2O3S/c1-23-13-9-12(10-14(11-13)24-2)20-18(22)21-7-8-25-17(21)15-5-3-4-6-16(15)19/h3-6,9-11,17H,7-8H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyCUHCXGCIAQESBC-KRWDZBQOSA-N
XLogP4.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 5068001
(2R)-2-(2-fluorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7499220
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
2-(3,5-dimethoxyphenyl)-N-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 42781204
(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7301691
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 86264755
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482577
(2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025606
(2R)-N-(2-bromophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7297065

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 7349968) is (2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide is COc1cc(NC(=O)N2CCS[C@H]2c2ccccc2F)cc(OC)c1.
What is the InChIKey of (2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is CUHCXGCIAQESBC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-23-13-9-12(10-14(11-13)24-2)20-18(22)21-7-8-25-17(21)15-5-3-4-6-16(15)19/h3-6,9-11,17H,7-8H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7349968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).