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

C17H22N2O2S — CID 71483803

IUPACN-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide
SMILESCOc1ccc(C2C=C(C(C)(C)C)N=C(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/h6-10,14H,1-5H3,(H,18,19,20)
InChIKeyWCVLEJRBLDSQME-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.91
Rot. Bonds2

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

N-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide (PubChem CID 71483803) 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)-6H-1,3-thiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide
PubChem CID71483803
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide
SMILESCOc1ccc(C2C=C(C(C)(C)C)N=C(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/h6-10,14H,1-5H3,(H,18,19,20)
InChIKeyWCVLEJRBLDSQME-UHFFFAOYSA-N
XLogP3.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-tert-butyl-6-(4-methoxyphenyl)-2H-1,3-thiazin-2-yl]acetamide
CID 141296393
4,6-bis(4-methoxyphenyl)-6H-1,3-thiazin-2-amine
CID 3568687
N-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 2255687
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
ethyl 5-acetamido-3-(4-methoxyphenyl)-2-methyl-2,3-dihydrothiophene-4-carboxylate
CID 70967319
5-(4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxylic acid
CID 18961071
5-tert-butyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 2741497
[4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] acetate
CID 2872018
2-(4-methoxyphenoxy)-2-methylpropanoate
CID 7645712
(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate
CID 83824610
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929

Frequently Asked Questions

What is the IUPAC name of N-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide?
The IUPAC name of N-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide (CID 71483803) is N-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide.
What is the SMILES notation for N-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide?
The canonical SMILES for N-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide is COc1ccc(C2C=C(C(C)(C)C)N=C(NC(C)=O)S2)cc1.
What is the InChIKey of N-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide?
The InChIKey is WCVLEJRBLDSQME-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/h6-10,14H,1-5H3,(H,18,19,20).
What are the key properties of N-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide?
N-[4-tert-butyl-6-(4-methoxyphenyl)-6H-1,3-thiazin-2-yl]acetamide has a molecular weight of 318.44 g/mol, XLogP of 3.91, 2 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)-6H-1,3-thiazin-2-yl]acetamide is sourced from PubChem (CID 71483803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).