2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine

C11H20N4S — CID 107133535

IUPAC2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine
SMILESCC(C)(C)c1nc(C2CCSC2)c(N)n1N
InChIInChI=1S/C11H20N4S/c1-11(2,3)10-14-8(9(12)15(10)13)7-4-5-16-6-7/h7H,4-6,12-13H2,1-3H3
InChIKeyMCTBIFPIFUIFJA-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.70
Rot. Bonds1

About 2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine

2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine (PubChem CID 107133535) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine
PubChem CID107133535
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine
SMILESCC(C)(C)c1nc(C2CCSC2)c(N)n1N
InChIInChI=1S/C11H20N4S/c1-11(2,3)10-14-8(9(12)15(10)13)7-4-5-16-6-7/h7H,4-6,12-13H2,1-3H3
InChIKeyMCTBIFPIFUIFJA-UHFFFAOYSA-N
XLogP1.70
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine?
The IUPAC name of 2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine (CID 107133535) is 2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine.
What is the SMILES notation for 2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine?
The canonical SMILES for 2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine is CC(C)(C)c1nc(C2CCSC2)c(N)n1N.
What is the InChIKey of 2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine?
The InChIKey is MCTBIFPIFUIFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-11(2,3)10-14-8(9(12)15(10)13)7-4-5-16-6-7/h7H,4-6,12-13H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine?
2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine has a molecular weight of 240.38 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine is sourced from PubChem (CID 107133535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).