N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide

C17H22N2O2S — CID 141296393

IUPACN-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide
SMILESCOc1ccc(C2=CC(C(C)(C)C)=NC(NC(C)=O)S2)cc1
InChIInChI=1S/C17H22N2O2S/c1-11(20)18-16-19-15(17(2,3)4)10-14(22-16)12-6-8-13(21-5)9-7-12/h6-10,16H,1-5H3,(H,18,20)
InChIKeyUBCQBCWCSSPKEF-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.69
Rot. Bonds3

About N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide

N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide (PubChem CID 141296393) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide
PubChem CID141296393
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide
SMILESCOc1ccc(C2=CC(C(C)(C)C)=NC(NC(C)=O)S2)cc1
InChIInChI=1S/C17H22N2O2S/c1-11(20)18-16-19-15(17(2,3)4)10-14(22-16)12-6-8-13(21-5)9-7-12/h6-10,16H,1-5H3,(H,18,20)
InChIKeyUBCQBCWCSSPKEF-UHFFFAOYSA-N
XLogP3.69
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide?
The IUPAC name of N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide (CID 141296393) is N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide.
What is the SMILES notation for N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide?
The canonical SMILES for N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide is COc1ccc(C2=CC(C(C)(C)C)=NC(NC(C)=O)S2)cc1.
What is the InChIKey of N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide?
The InChIKey is UBCQBCWCSSPKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(20)18-16-19-15(17(2,3)4)10-14(22-16)12-6-8-13(21-5)9-7-12/h6-10,16H,1-5H3,(H,18,20).
What are the key properties of N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide?
N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide has a molecular weight of 318.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide is sourced from PubChem (CID 141296393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).