2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

C16H20N2O2S — CID 8894155

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCc1cc(OCC(=O)/N=c2/sccn2C)ccc1C(C)C
InChIInChI=1S/C16H20N2O2S/c1-11(2)14-6-5-13(9-12(14)3)20-10-15(19)17-16-18(4)7-8-21-16/h5-9,11H,10H2,1-4H3/b17-16+
InChIKeyBUGHCPLXVMHBAZ-WUKNDPDISA-N
MW304.42 g/mol
LogP3.02
Rot. Bonds4

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 8894155) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID8894155
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCc1cc(OCC(=O)/N=c2/sccn2C)ccc1C(C)C
InChIInChI=1S/C16H20N2O2S/c1-11(2)14-6-5-13(9-12(14)3)20-10-15(19)17-16-18(4)7-8-21-16/h5-9,11H,10H2,1-4H3/b17-16+
InChIKeyBUGHCPLXVMHBAZ-WUKNDPDISA-N
XLogP3.02
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (CID 8894155) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is Cc1cc(OCC(=O)/N=c2/sccn2C)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is BUGHCPLXVMHBAZ-WUKNDPDISA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)14-6-5-13(9-12(14)3)20-10-15(19)17-16-18(4)7-8-21-16/h5-9,11H,10H2,1-4H3/b17-16+.
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 304.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 8894155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).