2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide

C17H22N2O2S — CID 110329378

IUPAC2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
SMILESCOc1ccccc1-c1nc(C)c(CC(=O)NCC(C)C)s1
InChIInChI=1S/C17H22N2O2S/c1-11(2)10-18-16(20)9-15-12(3)19-17(22-15)13-7-5-6-8-14(13)21-4/h5-8,11H,9-10H2,1-4H3,(H,18,20)
InChIKeyVJSJMGXUYWZFQU-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.44
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide

2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide (PubChem CID 110329378) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
PubChem CID110329378
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
SMILESCOc1ccccc1-c1nc(C)c(CC(=O)NCC(C)C)s1
InChIInChI=1S/C17H22N2O2S/c1-11(2)10-18-16(20)9-15-12(3)19-17(22-15)13-7-5-6-8-14(13)21-4/h5-8,11H,9-10H2,1-4H3,(H,18,20)
InChIKeyVJSJMGXUYWZFQU-UHFFFAOYSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide (CID 110329378) is 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide is COc1ccccc1-c1nc(C)c(CC(=O)NCC(C)C)s1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is VJSJMGXUYWZFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(2)10-18-16(20)9-15-12(3)19-17(22-15)13-7-5-6-8-14(13)21-4/h5-8,11H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide?
2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 110329378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).