2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole

C13H23N3S — CID 54087146

IUPAC2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole
SMILESCCC1(c2nccs2)NCC(C)(C)C(C)(C)N1
InChIInChI=1S/C13H23N3S/c1-6-13(10-14-7-8-17-10)15-9-11(2,3)12(4,5)16-13/h7-8,15-16H,6,9H2,1-5H3
InChIKeyMRGXBZAIIQRCIF-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.70
Rot. Bonds2

About 2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole

2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole (PubChem CID 54087146) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole
PubChem CID54087146
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole
SMILESCCC1(c2nccs2)NCC(C)(C)C(C)(C)N1
InChIInChI=1S/C13H23N3S/c1-6-13(10-14-7-8-17-10)15-9-11(2,3)12(4,5)16-13/h7-8,15-16H,6,9H2,1-5H3
InChIKeyMRGXBZAIIQRCIF-UHFFFAOYSA-N
XLogP2.70
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole (CID 54087146) is 2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole is CCC1(c2nccs2)NCC(C)(C)C(C)(C)N1.
What is the InChIKey of 2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole?
The InChIKey is MRGXBZAIIQRCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-6-13(10-14-7-8-17-10)15-9-11(2,3)12(4,5)16-13/h7-8,15-16H,6,9H2,1-5H3.
What are the key properties of 2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole?
2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,4,5,5-tetramethyl-1,3-diazinan-2-yl)-1,3-thiazole is sourced from PubChem (CID 54087146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).