1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone

C19H16ClNO3S — CID 112788067

IUPAC1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClNO3S/c1-12(22)14-5-8-17(18(9-14)23-2)24-10-16-11-25-19(21-16)13-3-6-15(20)7-4-13/h3-9,11H,10H2,1-2H3
InChIKeyCQFQTBAWFGFMGZ-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.25
Rot. Bonds6

About 1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone

1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone (PubChem CID 112788067) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone
PubChem CID112788067
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClNO3S/c1-12(22)14-5-8-17(18(9-14)23-2)24-10-16-11-25-19(21-16)13-3-6-15(20)7-4-13/h3-9,11H,10H2,1-2H3
InChIKeyCQFQTBAWFGFMGZ-UHFFFAOYSA-N
XLogP5.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.86
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 26036629
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 30043518
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516068
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076
2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid
CID 4874786
(4-acetylphenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 8764004
N-[4-[(4-acetyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55579144
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866611
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 8579793

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone (CID 112788067) is 1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1OCc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone?
The InChIKey is CQFQTBAWFGFMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-12(22)14-5-8-17(18(9-14)23-2)24-10-16-11-25-19(21-16)13-3-6-15(20)7-4-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone?
1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone has a molecular weight of 373.86 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 112788067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).