methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate

C13H12ClNO4S — CID 60824795

IUPACmethyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(OCc2cccc(OC)c2)nc1Cl
InChIInChI=1S/C13H12ClNO4S/c1-17-9-5-3-4-8(6-9)7-19-13-15-11(14)10(20-13)12(16)18-2/h3-6H,7H2,1-2H3
InChIKeyWZYBONWTKPBLOZ-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.17
Rot. Bonds5

About methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate (PubChem CID 60824795) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate
PubChem CID60824795
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Namemethyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(OCc2cccc(OC)c2)nc1Cl
InChIInChI=1S/C13H12ClNO4S/c1-17-9-5-3-4-8(6-9)7-19-13-15-11(14)10(20-13)12(16)18-2/h3-6H,7H2,1-2H3
InChIKeyWZYBONWTKPBLOZ-UHFFFAOYSA-N
XLogP3.17
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
CID 61037210
methyl 2-[(3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 79017484
2-[(3-methoxyphenyl)methoxy]-1,3-thiazol-5-amine
CID 102769354
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
methyl 5-acetyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
CID 106696485
methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate
CID 112828222
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
(3-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929160
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 103730431
(3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate
CID 63841488

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate (CID 60824795) is methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(OCc2cccc(OC)c2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate?
The InChIKey is WZYBONWTKPBLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c1-17-9-5-3-4-8(6-9)7-19-13-15-11(14)10(20-13)12(16)18-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate has a molecular weight of 313.76 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 60824795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).