(4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone

C25H20ClNO2S — CID 45141291

IUPAC(4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone
SMILESCc1ccc(-c2csc(COc3ccc(C)cc3C(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C25H20ClNO2S/c1-16-3-6-18(7-4-16)22-15-30-24(27-22)14-29-23-12-5-17(2)13-21(23)25(28)19-8-10-20(26)11-9-19/h3-13,15H,14H2,1-2H3
InChIKeyPDTYDCNXEXRROI-UHFFFAOYSA-N
MW433.96 g/mol
LogP6.89
Rot. Bonds6

About (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone

(4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone (PubChem CID 45141291) has the molecular formula C25H20ClNO2S and a molecular weight of 433.96 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone
PubChem CID45141291
Molecular FormulaC25H20ClNO2S
Molecular Weight433.96 g/mol
Exact Mass433.09
IUPAC Name(4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone
SMILESCc1ccc(-c2csc(COc3ccc(C)cc3C(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C25H20ClNO2S/c1-16-3-6-18(7-4-16)22-15-30-24(27-22)14-29-23-12-5-17(2)13-21(23)25(28)19-8-10-20(26)11-9-19/h3-13,15H,14H2,1-2H3
InChIKeyPDTYDCNXEXRROI-UHFFFAOYSA-N
XLogP6.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.96
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone with MolForge

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Related Compounds

1-[3-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]-2-methylprop-2-en-1-one
CID 57384082
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]benzaldehyde
CID 87822274
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2,6-difluoro-3-[[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]methoxy]benzamide
CID 59402771
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
N-butan-2-yl-N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-4-methylbenzamide
CID 46006483
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93160304
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126036762
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
CID 166360122
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
ethyl 2-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetate
CID 58956181

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone (CID 45141291) is (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone is Cc1ccc(-c2csc(COc3ccc(C)cc3C(=O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone?
The InChIKey is PDTYDCNXEXRROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO2S/c1-16-3-6-18(7-4-16)22-15-30-24(27-22)14-29-23-12-5-17(2)13-21(23)25(28)19-8-10-20(26)11-9-19/h3-13,15H,14H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone?
(4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone has a molecular weight of 433.96 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-methyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone is sourced from PubChem (CID 45141291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).