[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate

C20H16ClF2NO4S — CID 43040385

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCOc1cc(COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)ccc1OC(F)F
InChIInChI=1S/C20H16ClF2NO4S/c1-26-17-8-12(2-7-16(17)28-20(22)23)10-27-18(25)9-15-11-29-19(24-15)13-3-5-14(21)6-4-13/h2-8,11,20H,9-10H2,1H3
InChIKeyBJRJKBRGWVUWRC-UHFFFAOYSA-N
MW439.87 g/mol
LogP5.36
Rot. Bonds8

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 43040385) has the molecular formula C20H16ClF2NO4S and a molecular weight of 439.87 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID43040385
Molecular FormulaC20H16ClF2NO4S
Molecular Weight439.87 g/mol
Exact Mass439.05
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCOc1cc(COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)ccc1OC(F)F
InChIInChI=1S/C20H16ClF2NO4S/c1-26-17-8-12(2-7-16(17)28-20(22)23)10-27-18(25)9-15-11-29-19(24-15)13-3-5-14(21)6-4-13/h2-8,11,20H,9-10H2,1H3
InChIKeyBJRJKBRGWVUWRC-UHFFFAOYSA-N
XLogP5.36
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.87
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295
methyl 2-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 80574115
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonylmethyl]-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
CID 47022727
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609834
[4-(difluoromethoxy)-3-methoxyphenyl]methyl butanoate
CID 78805538
1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone
CID 112788067
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 30043518
methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate
CID 55519829
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
(4-ethylphenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 26881766
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27781154
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55404502

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate (CID 43040385) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate is COc1cc(COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is BJRJKBRGWVUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO4S/c1-26-17-8-12(2-7-16(17)28-20(22)23)10-27-18(25)9-15-11-29-19(24-15)13-3-5-14(21)6-4-13/h2-8,11,20H,9-10H2,1H3.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 439.87 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43040385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).