4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine

C19H24N4OS — CID 133379442

IUPAC4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine
SMILESCC(C)(C)c1cn2nc(N3CCOC(C)(c4ccccc4)C3)sc2n1
InChIInChI=1S/C19H24N4OS/c1-18(2,3)15-12-23-16(20-15)25-17(21-23)22-10-11-24-19(4,13-22)14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3
InChIKeyVYITYTREJIKXEC-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.84
Rot. Bonds2

About 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine

4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine (PubChem CID 133379442) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine
PubChem CID133379442
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine
SMILESCC(C)(C)c1cn2nc(N3CCOC(C)(c4ccccc4)C3)sc2n1
InChIInChI=1S/C19H24N4OS/c1-18(2,3)15-12-23-16(20-15)25-17(21-23)22-10-11-24-19(4,13-22)14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3
InChIKeyVYITYTREJIKXEC-UHFFFAOYSA-N
XLogP3.84
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine?
The IUPAC name of 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine (CID 133379442) is 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine?
The canonical SMILES for 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine is CC(C)(C)c1cn2nc(N3CCOC(C)(c4ccccc4)C3)sc2n1.
What is the InChIKey of 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine?
The InChIKey is VYITYTREJIKXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-18(2,3)15-12-23-16(20-15)25-17(21-23)22-10-11-24-19(4,13-22)14-8-6-5-7-9-14/h5-9,12H,10-11,13H2,1-4H3.
What are the key properties of 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine?
4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine has a molecular weight of 356.50 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine is sourced from PubChem (CID 133379442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).