2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol

C20H21N3O3S — CID 53010642

IUPAC2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
SMILESCOCCCNc1c(-c2ccc(O)c(OC)c2)nc2sc3ccccc3n12
InChIInChI=1S/C20H21N3O3S/c1-25-11-5-10-21-19-18(13-8-9-15(24)16(12-13)26-2)22-20-23(19)14-6-3-4-7-17(14)27-20/h3-4,6-9,12,21,24H,5,10-11H2,1-2H3
InChIKeyFBACLUNVBBNLRD-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.38
Rot. Bonds7

About 2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol

2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol (PubChem CID 53010642) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
PubChem CID53010642
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
SMILESCOCCCNc1c(-c2ccc(O)c(OC)c2)nc2sc3ccccc3n12
InChIInChI=1S/C20H21N3O3S/c1-25-11-5-10-21-19-18(13-8-9-15(24)16(12-13)26-2)22-20-23(19)14-6-3-4-7-17(14)27-20/h3-4,6-9,12,21,24H,5,10-11H2,1-2H3
InChIKeyFBACLUNVBBNLRD-UHFFFAOYSA-N
XLogP4.38
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol (CID 53010642) is 2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol is COCCCNc1c(-c2ccc(O)c(OC)c2)nc2sc3ccccc3n12.
What is the InChIKey of 2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol?
The InChIKey is FBACLUNVBBNLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-25-11-5-10-21-19-18(13-8-9-15(24)16(12-13)26-2)22-20-23(19)14-6-3-4-7-17(14)27-20/h3-4,6-9,12,21,24H,5,10-11H2,1-2H3.
What are the key properties of 2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol?
2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol has a molecular weight of 383.47 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol is sourced from PubChem (CID 53010642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).