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

C14H26N2OS — CID 106352426

IUPAC4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOC1CC(NC2=NC(C(C)(C)C)CCS2)C1
InChIInChI=1S/C14H26N2OS/c1-5-17-11-8-10(9-11)15-13-16-12(6-7-18-13)14(2,3)4/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyWRYJXYGIJSHTCZ-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.05
Rot. Bonds3

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

4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352426) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352426
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCOC1CC(NC2=NC(C(C)(C)C)CCS2)C1
InChIInChI=1S/C14H26N2OS/c1-5-17-11-8-10(9-11)15-13-16-12(6-7-18-13)14(2,3)4/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyWRYJXYGIJSHTCZ-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352426) is 4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCOC1CC(NC2=NC(C(C)(C)C)CCS2)C1.
What is the InChIKey of 4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WRYJXYGIJSHTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-17-11-8-10(9-11)15-13-16-12(6-7-18-13)14(2,3)4/h10-12H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 270.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).