2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol

C19H19N3OS — CID 51002654

IUPAC2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol
SMILESCCN(CC)c1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
InChIInChI=1S/C19H19N3OS/c1-3-21(4-2)14-7-5-13(6-8-14)16-12-22-17-10-9-15(23)11-18(17)24-19(22)20-16/h5-12,23H,3-4H2,1-2H3
InChIKeySTBWCRRSRMSVMG-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.77
Rot. Bonds4

About 2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol

2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol (PubChem CID 51002654) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol
PubChem CID51002654
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol
SMILESCCN(CC)c1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
InChIInChI=1S/C19H19N3OS/c1-3-21(4-2)14-7-5-13(6-8-14)16-12-22-17-10-9-15(23)11-18(17)24-19(22)20-16/h5-12,23H,3-4H2,1-2H3
InChIKeySTBWCRRSRMSVMG-UHFFFAOYSA-N
XLogP4.77
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
The IUPAC name of 2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol (CID 51002654) is 2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
The canonical SMILES for 2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol is CCN(CC)c1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
The InChIKey is STBWCRRSRMSVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-21(4-2)14-7-5-13(6-8-14)16-12-22-17-10-9-15(23)11-18(17)24-19(22)20-16/h5-12,23H,3-4H2,1-2H3.
What are the key properties of 2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol has a molecular weight of 337.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol is sourced from PubChem (CID 51002654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).