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

C18H19FN2OS — CID 7418716

IUPAC(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1cccc(NC(=O)N2CCS[C@H]2c2ccc(F)cc2)c1C
InChIInChI=1S/C18H19FN2OS/c1-12-4-3-5-16(13(12)2)20-18(22)21-10-11-23-17(21)14-6-8-15(19)9-7-14/h3-9,17H,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyNBMGDHRVRNURFB-KRWDZBQOSA-N
MW330.43 g/mol
LogP4.72
Rot. Bonds2

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

(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 7418716) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID7418716
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1cccc(NC(=O)N2CCS[C@H]2c2ccc(F)cc2)c1C
InChIInChI=1S/C18H19FN2OS/c1-12-4-3-5-16(13(12)2)20-18(22)21-10-11-23-17(21)14-6-8-15(19)9-7-14/h3-9,17H,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyNBMGDHRVRNURFB-KRWDZBQOSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331362
(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
(2R)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283743
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7283655
N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 86264827
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 45153977
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351
N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572857
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 7418716) is (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is Cc1cccc(NC(=O)N2CCS[C@H]2c2ccc(F)cc2)c1C.
What is the InChIKey of (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is NBMGDHRVRNURFB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-12-4-3-5-16(13(12)2)20-18(22)21-10-11-23-17(21)14-6-8-15(19)9-7-14/h3-9,17H,10-11H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7418716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).