4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C15H18N2O2S — CID 110761812

IUPAC4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(OC(C)(C)C)cc2)n1
InChIInChI=1S/C15H18N2O2S/c1-10-9-20-14(16-10)17-13(18)11-5-7-12(8-6-11)19-15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyOYEZSIJMRBVVHX-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.88
Rot. Bonds3

About 4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 110761812) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID110761812
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(OC(C)(C)C)cc2)n1
InChIInChI=1S/C15H18N2O2S/c1-10-9-20-14(16-10)17-13(18)11-5-7-12(8-6-11)19-15(2,3)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyOYEZSIJMRBVVHX-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 110761812) is 4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(OC(C)(C)C)cc2)n1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OYEZSIJMRBVVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-9-20-14(16-10)17-13(18)11-5-7-12(8-6-11)19-15(2,3)4/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 290.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 110761812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).