methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate

C18H15NO3S — CID 169498475

IUPACmethyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C18H15NO3S/c1-21-18(20)16-12-23-17(19-16)14-8-5-9-15(10-14)22-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3
InChIKeyWUJVSWSCODQFGX-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.18
Rot. Bonds5

About methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate

methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 169498475) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID169498475
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Namemethyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C18H15NO3S/c1-21-18(20)16-12-23-17(19-16)14-8-5-9-15(10-14)22-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3
InChIKeyWUJVSWSCODQFGX-UHFFFAOYSA-N
XLogP4.18
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
2-[3-[(4-methoxyphenoxy)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39158618
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066553
N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866958
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-[2-(3-phenylmethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 68681549
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 42866055
N-methyl-2-[3-[(3-methylphenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068053
N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066573
2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068064
methyl 2-[3-[5-(oxan-2-yloxy)pentoxy]phenyl]-1,3-thiazole-4-carboxylate
CID 66816405

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate (CID 169498475) is methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WUJVSWSCODQFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-21-18(20)16-12-23-17(19-16)14-8-5-9-15(10-14)22-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3.
What are the key properties of methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate?
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 169498475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).