3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine

C16H18N4OS — CID 4074694

IUPAC3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine
SMILESCC1COCC(C)N1c1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C16H18N4OS/c1-11-9-21-10-12(2)20(11)16-18-19-8-14(17-15(19)22-16)13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyUPPFUBBHKGZXNP-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.07
Rot. Bonds2

About 3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine

3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine (PubChem CID 4074694) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine
PubChem CID4074694
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine
SMILESCC1COCC(C)N1c1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C16H18N4OS/c1-11-9-21-10-12(2)20(11)16-18-19-8-14(17-15(19)22-16)13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyUPPFUBBHKGZXNP-UHFFFAOYSA-N
XLogP3.07
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine?
The IUPAC name of 3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine (CID 4074694) is 3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine.
What is the SMILES notation for 3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine?
The canonical SMILES for 3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine is CC1COCC(C)N1c1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of 3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine?
The InChIKey is UPPFUBBHKGZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-9-21-10-12(2)20(11)16-18-19-8-14(17-15(19)22-16)13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine?
3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine has a molecular weight of 314.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholine is sourced from PubChem (CID 4074694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).