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

C16H19N3OS — CID 61238024

IUPAC4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol
SMILESCc1cn2c(CNCCc3ccc(O)cc3)c(C)nc2s1
InChIInChI=1S/C16H19N3OS/c1-11-10-19-15(12(2)18-16(19)21-11)9-17-8-7-13-3-5-14(20)6-4-13/h3-6,10,17,20H,7-9H2,1-2H3
InChIKeyDCBKSQYJFKIIQB-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.05
Rot. Bonds5

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

4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol (PubChem CID 61238024) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol
PubChem CID61238024
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol
SMILESCc1cn2c(CNCCc3ccc(O)cc3)c(C)nc2s1
InChIInChI=1S/C16H19N3OS/c1-11-10-19-15(12(2)18-16(19)21-11)9-17-8-7-13-3-5-14(20)6-4-13/h3-6,10,17,20H,7-9H2,1-2H3
InChIKeyDCBKSQYJFKIIQB-UHFFFAOYSA-N
XLogP3.05
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.05
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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Related Compounds

2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43625798
6-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]hexan-1-ol
CID 103924077
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methoxyethanamine
CID 43625696
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43625709
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43625829
methyl 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetate
CID 43625703
N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]-2-methylpropanamide
CID 43625807
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639200
N-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 43625851
N-[[4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 122157324
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)methanamine
CID 43625818
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol?
The IUPAC name of 4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol (CID 61238024) is 4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol is Cc1cn2c(CNCCc3ccc(O)cc3)c(C)nc2s1.
What is the InChIKey of 4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol?
The InChIKey is DCBKSQYJFKIIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-10-19-15(12(2)18-16(19)21-11)9-17-8-7-13-3-5-14(20)6-4-13/h3-6,10,17,20H,7-9H2,1-2H3.
What are the key properties of 4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol?
4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol has a molecular weight of 301.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 61238024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).