6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H25N5OS — CID 47054123

IUPAC6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(CN1CCOCC1)Nc1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C15H25N5OS/c1-11(9-19-5-7-21-8-6-19)16-13-18-20-10-12(15(2,3)4)17-14(20)22-13/h10-11H,5-9H2,1-4H3,(H,16,18)
InChIKeyLJPXVOKNDAZZFS-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.22
Rot. Bonds4

About 6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 47054123) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID47054123
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(CN1CCOCC1)Nc1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C15H25N5OS/c1-11(9-19-5-7-21-8-6-19)16-13-18-20-10-12(15(2,3)4)17-14(20)22-13/h10-11H,5-9H2,1-4H3,(H,16,18)
InChIKeyLJPXVOKNDAZZFS-UHFFFAOYSA-N
XLogP2.22
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 47054123) is 6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(CN1CCOCC1)Nc1nn2cc(C(C)(C)C)nc2s1.
What is the InChIKey of 6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is LJPXVOKNDAZZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-11(9-19-5-7-21-8-6-19)16-13-18-20-10-12(15(2,3)4)17-14(20)22-13/h10-11H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 323.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 47054123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).