methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate

C19H16N2O4S — CID 55875358

IUPACmethyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1
InChIInChI=1S/C19H16N2O4S/c1-24-17(22)12-25-16-4-2-3-14(11-16)18(23)21-15-7-5-13(6-8-15)19-20-9-10-26-19/h2-11H,12H2,1H3,(H,21,23)
InChIKeyNYULFWRGYFOMHR-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.61
Rot. Bonds6

About methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate

methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate (PubChem CID 55875358) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate
PubChem CID55875358
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Namemethyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1
InChIInChI=1S/C19H16N2O4S/c1-24-17(22)12-25-16-4-2-3-14(11-16)18(23)21-15-7-5-13(6-8-15)19-20-9-10-26-19/h2-11H,12H2,1H3,(H,21,23)
InChIKeyNYULFWRGYFOMHR-UHFFFAOYSA-N
XLogP3.61
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795282
3-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795483
3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 28544978
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447
5-(3-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 110313569
2-(3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795737
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 9114839
3-(2-methylprop-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 6473256
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate (CID 55875358) is methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate is COC(=O)COc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1.
What is the InChIKey of methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate?
The InChIKey is NYULFWRGYFOMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-24-17(22)12-25-16-4-2-3-14(11-16)18(23)21-15-7-5-13(6-8-15)19-20-9-10-26-19/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate?
methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate has a molecular weight of 368.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate is sourced from PubChem (CID 55875358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).