1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

C18H16N2O2S — CID 972852

IUPAC1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCOc1ccc(-c2csc(Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C18H16N2O2S/c1-12(21)13-3-7-15(8-4-13)19-18-20-17(11-23-18)14-5-9-16(22-2)10-6-14/h3-11H,1-2H3,(H,19,20)
InChIKeyNVDLCDUSUUGZOY-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.76
Rot. Bonds5

About 1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 972852) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID972852
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCOc1ccc(-c2csc(Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C18H16N2O2S/c1-12(21)13-3-7-15(8-4-13)19-18-20-17(11-23-18)14-5-9-16(22-2)10-6-14/h3-11H,1-2H3,(H,19,20)
InChIKeyNVDLCDUSUUGZOY-UHFFFAOYSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 972852) is 1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is COc1ccc(-c2csc(Nc3ccc(C(C)=O)cc3)n2)cc1.
What is the InChIKey of 1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is NVDLCDUSUUGZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12(21)13-3-7-15(8-4-13)19-18-20-17(11-23-18)14-5-9-16(22-2)10-6-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of 1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 324.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 972852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).