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

C18H19N5O3S2 — CID 70860972

IUPAC6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESCN(C)c1cccc(Oc2ccc(C3CN4N=C(S(N)(=O)=O)SC4=N3)cc2)c1
InChIInChI=1S/C18H19N5O3S2/c1-22(2)13-4-3-5-15(10-13)26-14-8-6-12(7-9-14)16-11-23-17(20-16)27-18(21-23)28(19,24)25/h3-10,16H,11H2,1-2H3,(H2,19,24,25)
InChIKeyNJQZWBAVOHXYEN-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.56
Rot. Bonds4

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

6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (PubChem CID 70860972) has the molecular formula C18H19N5O3S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
PubChem CID70860972
Molecular FormulaC18H19N5O3S2
Molecular Weight417.52 g/mol
Exact Mass417.09
IUPAC Name6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SMILESCN(C)c1cccc(Oc2ccc(C3CN4N=C(S(N)(=O)=O)SC4=N3)cc2)c1
InChIInChI=1S/C18H19N5O3S2/c1-22(2)13-4-3-5-15(10-13)26-14-8-6-12(7-9-14)16-11-23-17(20-16)27-18(21-23)28(19,24)25/h3-10,16H,11H2,1-2H3,(H2,19,24,25)
InChIKeyNJQZWBAVOHXYEN-UHFFFAOYSA-N
XLogP2.56
TPSA100.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The IUPAC name of 6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide (CID 70860972) is 6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide.
What is the SMILES notation for 6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The canonical SMILES for 6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is CN(C)c1cccc(Oc2ccc(C3CN4N=C(S(N)(=O)=O)SC4=N3)cc2)c1.
What is the InChIKey of 6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
The InChIKey is NJQZWBAVOHXYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c1-22(2)13-4-3-5-15(10-13)26-14-8-6-12(7-9-14)16-11-23-17(20-16)27-18(21-23)28(19,24)25/h3-10,16H,11H2,1-2H3,(H2,19,24,25).
What are the key properties of 6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide?
6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide has a molecular weight of 417.52 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(dimethylamino)phenoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide is sourced from PubChem (CID 70860972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).