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

C18H15NO3S — CID 18613878

IUPACmethyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2nc(-c3ccc(OC)cc3)cs2)c1
InChIInChI=1S/C18H15NO3S/c1-21-15-8-6-12(7-9-15)16-11-23-17(19-16)13-4-3-5-14(10-13)18(20)22-2/h3-11H,1-2H3
InChIKeySPYJBSBUTWVBQN-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.27
Rot. Bonds4

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

methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate (PubChem CID 18613878) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
PubChem CID18613878
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Namemethyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
SMILESCOC(=O)c1cccc(-c2nc(-c3ccc(OC)cc3)cs2)c1
InChIInChI=1S/C18H15NO3S/c1-21-15-8-6-12(7-9-15)16-11-23-17(19-16)13-4-3-5-14(10-13)18(20)22-2/h3-11H,1-2H3
InChIKeySPYJBSBUTWVBQN-UHFFFAOYSA-N
XLogP4.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
methyl 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]benzoate
CID 122156362
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 170172156
methyl 5-(4-methoxyphenyl)sulfanyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxylate
CID 57053883
N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9344065
N-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356398
methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate;hydrobromide
CID 18613847
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751458
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate?
The IUPAC name of methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate (CID 18613878) is methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate.
What is the SMILES notation for methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate?
The canonical SMILES for methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate is COC(=O)c1cccc(-c2nc(-c3ccc(OC)cc3)cs2)c1.
What is the InChIKey of methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate?
The InChIKey is SPYJBSBUTWVBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-21-15-8-6-12(7-9-15)16-11-23-17(19-16)13-4-3-5-14(10-13)18(20)22-2/h3-11H,1-2H3.
What are the key properties of methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate?
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate has a molecular weight of 325.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate is sourced from PubChem (CID 18613878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).