methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate

C20H17NO4S — CID 1472843

IUPACmethyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
SMILESCOC(=O)Cc1sc(-c2ccc(C(=O)OC)cc2)nc1-c1ccccc1
InChIInChI=1S/C20H17NO4S/c1-24-17(22)12-16-18(13-6-4-3-5-7-13)21-19(26-16)14-8-10-15(11-9-14)20(23)25-2/h3-11H,12H2,1-2H3
InChIKeyGSIBMQDIGYHVAH-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.98
Rot. Bonds5

About methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate

methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate (PubChem CID 1472843) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
PubChem CID1472843
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Namemethyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
SMILESCOC(=O)Cc1sc(-c2ccc(C(=O)OC)cc2)nc1-c1ccccc1
InChIInChI=1S/C20H17NO4S/c1-24-17(22)12-16-18(13-6-4-3-5-7-13)21-19(26-16)14-8-10-15(11-9-14)20(23)25-2/h3-11H,12H2,1-2H3
InChIKeyGSIBMQDIGYHVAH-UHFFFAOYSA-N
XLogP3.98
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
CID 16687384
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetate
CID 148550494
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
methyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-4-phenyl-1,3-thiazol-5-yl]acetate;hydrochloride
CID 119304392
methyl 4-[(4-phenyl-5-propyl-1,3-thiazol-2-yl)amino]benzoate
CID 1111717
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 131710035
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
methyl 2-[2-(4-aminopentanoylamino)-4-phenyl-1,3-thiazol-5-yl]acetate
CID 120561313

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate?
The IUPAC name of methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate (CID 1472843) is methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate?
The canonical SMILES for methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate is COC(=O)Cc1sc(-c2ccc(C(=O)OC)cc2)nc1-c1ccccc1.
What is the InChIKey of methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate?
The InChIKey is GSIBMQDIGYHVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-24-17(22)12-16-18(13-6-4-3-5-7-13)21-19(26-16)14-8-10-15(11-9-14)20(23)25-2/h3-11H,12H2,1-2H3.
What are the key properties of methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate?
methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate has a molecular weight of 367.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate is sourced from PubChem (CID 1472843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).