4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol

C20H18ClN3OS — CID 142505375

IUPAC4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol
SMILESOc1ccc(CCNCc2c(-c3ccc(Cl)cc3)nc3sccn23)cc1
InChIInChI=1S/C20H18ClN3OS/c21-16-5-3-15(4-6-16)19-18(24-11-12-26-20(24)23-19)13-22-10-9-14-1-7-17(25)8-2-14/h1-8,11-12,22,25H,9-10,13H2
InChIKeyVBPVUIWFTQBELO-UHFFFAOYSA-N
MW383.90 g/mol
LogP4.75
Rot. Bonds6

About 4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol

4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol (PubChem CID 142505375) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is 4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol
PubChem CID142505375
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC Name4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol
SMILESOc1ccc(CCNCc2c(-c3ccc(Cl)cc3)nc3sccn23)cc1
InChIInChI=1S/C20H18ClN3OS/c21-16-5-3-15(4-6-16)19-18(24-11-12-26-20(24)23-19)13-22-10-9-14-1-7-17(25)8-2-14/h1-8,11-12,22,25H,9-10,13H2
InChIKeyVBPVUIWFTQBELO-UHFFFAOYSA-N
XLogP4.75
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol?
The IUPAC name of 4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol (CID 142505375) is 4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol is Oc1ccc(CCNCc2c(-c3ccc(Cl)cc3)nc3sccn23)cc1.
What is the InChIKey of 4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol?
The InChIKey is VBPVUIWFTQBELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c21-16-5-3-15(4-6-16)19-18(24-11-12-26-20(24)23-19)13-22-10-9-14-1-7-17(25)8-2-14/h1-8,11-12,22,25H,9-10,13H2.
What are the key properties of 4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol?
4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol has a molecular weight of 383.90 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylamino]ethyl]phenol is sourced from PubChem (CID 142505375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).