6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

C19H20N4O3S2 — CID 70860962

IUPAC6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESCC(C)c1ccc(Oc2ccc(C3CN4N=C(S(N)(=O)=O)SC4=N3)cc2)cc1
InChIInChI=1S/C19H20N4O3S2/c1-12(2)13-3-7-15(8-4-13)26-16-9-5-14(6-10-16)17-11-23-18(21-17)27-19(22-23)28(20,24)25/h3-10,12,17H,11H2,1-2H3,(H2,20,24,25)
InChIKeyIPHZXPNWVQMOJZ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.62
Rot. Bonds4

About 6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 70860962) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID70860962
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESCC(C)c1ccc(Oc2ccc(C3CN4N=C(S(N)(=O)=O)SC4=N3)cc2)cc1
InChIInChI=1S/C19H20N4O3S2/c1-12(2)13-3-7-15(8-4-13)26-16-9-5-14(6-10-16)17-11-23-18(21-17)27-19(22-23)28(20,24)25/h3-10,12,17H,11H2,1-2H3,(H2,20,24,25)
InChIKeyIPHZXPNWVQMOJZ-UHFFFAOYSA-N
XLogP3.62
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 70860962) is 6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is CC(C)c1ccc(Oc2ccc(C3CN4N=C(S(N)(=O)=O)SC4=N3)cc2)cc1.
What is the InChIKey of 6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is IPHZXPNWVQMOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-12(2)13-3-7-15(8-4-13)26-16-9-5-14(6-10-16)17-11-23-18(21-17)27-19(22-23)28(20,24)25/h3-10,12,17H,11H2,1-2H3,(H2,20,24,25).
What are the key properties of 6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 416.53 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-propan-2-ylphenoxy)phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 70860962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).