(2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C20H19N3O2S2 — CID 139069698

IUPAC(2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc([C@H]2SCC(=O)N2c2nnc(-c3cc(C)cc(C)c3)s2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-12-8-13(2)10-15(9-12)18-21-22-20(27-18)23-17(24)11-26-19(23)14-4-6-16(25-3)7-5-14/h4-10,19H,11H2,1-3H3/t19-/m1/s1
InChIKeyDLCOUOPCNJQLIS-LJQANCHMSA-N
MW397.53 g/mol
LogP4.61
Rot. Bonds4

About (2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

(2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 139069698) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is (2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID139069698
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name(2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc([C@H]2SCC(=O)N2c2nnc(-c3cc(C)cc(C)c3)s2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-12-8-13(2)10-15(9-12)18-21-22-20(27-18)23-17(24)11-26-19(23)14-4-6-16(25-3)7-5-14/h4-10,19H,11H2,1-3H3/t19-/m1/s1
InChIKeyDLCOUOPCNJQLIS-LJQANCHMSA-N
XLogP4.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 10761913
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326
(2S)-2-phenyl-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
CID 139070224
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
3-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 155924849
2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
CID 4241332
N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 93005213
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
CID 135419304
3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
CID 10524075

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 139069698) is (2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc([C@H]2SCC(=O)N2c2nnc(-c3cc(C)cc(C)c3)s2)cc1.
What is the InChIKey of (2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is DLCOUOPCNJQLIS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-12-8-13(2)10-15(9-12)18-21-22-20(27-18)23-17(24)11-26-19(23)14-4-6-16(25-3)7-5-14/h4-10,19H,11H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
(2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 397.53 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 139069698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).