2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate

C18H14NO3S- — CID 7303255

IUPAC2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate
SMILESCc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)[O-])s1
InChIInChI=1S/C18H15NO3S/c1-12-19-18(16(23-12)11-17(20)21)13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,20,21)/p-1
InChIKeyILVJMLSKFFGWPF-UHFFFAOYSA-M
MW324.38 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate

2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate (PubChem CID 7303255) has the molecular formula C18H14NO3S- and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Name2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate
PubChem CID7303255
Molecular FormulaC18H14NO3S-
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate
SMILESCc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)[O-])s1
InChIInChI=1S/C18H15NO3S/c1-12-19-18(16(23-12)11-17(20)21)13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,20,21)/p-1
InChIKeyILVJMLSKFFGWPF-UHFFFAOYSA-M
XLogP3.20
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of 2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate (CID 7303255) is 2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for 2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for 2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate is Cc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)[O-])s1.
What is the InChIKey of 2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate?
The InChIKey is ILVJMLSKFFGWPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15NO3S/c1-12-19-18(16(23-12)11-17(20)21)13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,20,21)/p-1.
What are the key properties of 2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate?
2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate has a molecular weight of 324.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 7303255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).