(2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone

C18H16N2O2S — CID 2814831

IUPAC(2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(Nc3ccccc3)nc2C)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-17(16(21)13-8-10-15(22-2)11-9-13)23-18(19-12)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)
InChIKeyIBSNKTURANLZTA-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.43
Rot. Bonds5

About (2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone

(2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone (PubChem CID 2814831) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
PubChem CID2814831
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(Nc3ccccc3)nc2C)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-17(16(21)13-8-10-15(22-2)11-9-13)23-18(19-12)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20)
InChIKeyIBSNKTURANLZTA-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone (CID 2814831) is (2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc(Nc3ccccc3)nc2C)cc1.
What is the InChIKey of (2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone?
The InChIKey is IBSNKTURANLZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-17(16(21)13-8-10-15(22-2)11-9-13)23-18(19-12)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of (2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone?
(2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone has a molecular weight of 324.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 2814831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).