1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one

C11H17N3OS — CID 115371046

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one
SMILESCC(C)(C)c1csc(N2CCCNC2=O)n1
InChIInChI=1S/C11H17N3OS/c1-11(2,3)8-7-16-10(13-8)14-6-4-5-12-9(14)15/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeySFPVQYXLNLYXRC-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.36
Rot. Bonds1

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one

1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one (PubChem CID 115371046) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one
PubChem CID115371046
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one
SMILESCC(C)(C)c1csc(N2CCCNC2=O)n1
InChIInChI=1S/C11H17N3OS/c1-11(2,3)8-7-16-10(13-8)14-6-4-5-12-9(14)15/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeySFPVQYXLNLYXRC-UHFFFAOYSA-N
XLogP2.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one (CID 115371046) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one is CC(C)(C)c1csc(N2CCCNC2=O)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one?
The InChIKey is SFPVQYXLNLYXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(2,3)8-7-16-10(13-8)14-6-4-5-12-9(14)15/h7H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one?
1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one has a molecular weight of 239.34 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 115371046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).