4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C17H26N2S — CID 106351110

IUPAC4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(C)c(NC2=NC(C(C)(C)C)CCS2)c(C)c1
InChIInChI=1S/C17H26N2S/c1-11-9-12(2)15(13(3)10-11)19-16-18-14(7-8-20-16)17(4,5)6/h9-10,14H,7-8H2,1-6H3,(H,18,19)
InChIKeyMCFHVRDMXYFGBP-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.93
Rot. Bonds1

About 4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351110) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351110
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cc(C)c(NC2=NC(C(C)(C)C)CCS2)c(C)c1
InChIInChI=1S/C17H26N2S/c1-11-9-12(2)15(13(3)10-11)19-16-18-14(7-8-20-16)17(4,5)6/h9-10,14H,7-8H2,1-6H3,(H,18,19)
InChIKeyMCFHVRDMXYFGBP-UHFFFAOYSA-N
XLogP4.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351110) is 4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1cc(C)c(NC2=NC(C(C)(C)C)CCS2)c(C)c1.
What is the InChIKey of 4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MCFHVRDMXYFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-11-9-12(2)15(13(3)10-11)19-16-18-14(7-8-20-16)17(4,5)6/h9-10,14H,7-8H2,1-6H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 290.48 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).