methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate

C19H16N2O4S — CID 60564920

IUPACmethyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C19H16N2O4S/c1-24-19(23)14-6-8-16(9-7-14)25-10-15-11-26-18(21-15)13-4-2-12(3-5-13)17(20)22/h2-9,11H,10H2,1H3,(H2,20,22)
InChIKeyWJZLMZSTRKGJNU-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.27
Rot. Bonds6

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

methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate (PubChem CID 60564920) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
PubChem CID60564920
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Namemethyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C19H16N2O4S/c1-24-19(23)14-6-8-16(9-7-14)25-10-15-11-26-18(21-15)13-4-2-12(3-5-13)17(20)22/h2-9,11H,10H2,1H3,(H2,20,22)
InChIKeyWJZLMZSTRKGJNU-UHFFFAOYSA-N
XLogP3.27
TPSA91.51 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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
CID 60564841
methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 51173434
4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
CID 60564937
4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
CID 47364833
methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
CID 7956863
4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 10520099
methyl 4-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]benzoate
CID 47087871
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235569
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-(difluoromethoxy)benzoate
CID 7234387
4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methoxy]-N-methylbenzamide
CID 56783700
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 32758569

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate (CID 60564920) is methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2csc(-c3ccc(C(N)=O)cc3)n2)cc1.
What is the InChIKey of methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate?
The InChIKey is WJZLMZSTRKGJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-24-19(23)14-6-8-16(9-7-14)25-10-15-11-26-18(21-15)13-4-2-12(3-5-13)17(20)22/h2-9,11H,10H2,1H3,(H2,20,22).
What are the key properties of methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate?
methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate has a molecular weight of 368.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate is sourced from PubChem (CID 60564920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).