(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone

C16H18N2OS2 — CID 122330391

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCc1ccc(C2SCCN2C(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C16H18N2OS2/c1-10-4-6-13(7-5-10)16-18(8-9-20-16)15(19)14-11(2)17-12(3)21-14/h4-7,16H,8-9H2,1-3H3
InChIKeyCOKRFIVSITULGF-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.96
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 122330391) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID122330391
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCc1ccc(C2SCCN2C(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C16H18N2OS2/c1-10-4-6-13(7-5-10)16-18(8-9-20-16)15(19)14-11(2)17-12(3)21-14/h4-7,16H,8-9H2,1-3H3
InChIKeyCOKRFIVSITULGF-UHFFFAOYSA-N
XLogP3.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 37446636
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7283655
[2-(difluoromethylsulfonyl)phenyl]-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330452
[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122330469
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86918269
1-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122330492
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129430279
[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 122330459
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 43092215
[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone
CID 122329605

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone (CID 122330391) is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone is Cc1ccc(C2SCCN2C(=O)c2sc(C)nc2C)cc1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is COKRFIVSITULGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-10-4-6-13(7-5-10)16-18(8-9-20-16)15(19)14-11(2)17-12(3)21-14/h4-7,16H,8-9H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 318.47 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 122330391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).