1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol

C13H10Cl2N4O3S — CID 133308109

IUPAC1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol
SMILESO=[N+]([O-])c1c(NCC(O)c2cc(Cl)cc(Cl)c2)nc2sccn12
InChIInChI=1S/C13H10Cl2N4O3S/c14-8-3-7(4-9(15)5-8)10(20)6-16-11-12(19(21)22)18-1-2-23-13(18)17-11/h1-5,10,16,20H,6H2
InChIKeyJDLRINWDIZZXKE-UHFFFAOYSA-N
MW373.22 g/mol
LogP3.76
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol

1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol (PubChem CID 133308109) has the molecular formula C13H10Cl2N4O3S and a molecular weight of 373.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol
PubChem CID133308109
Molecular FormulaC13H10Cl2N4O3S
Molecular Weight373.22 g/mol
Exact Mass371.99
IUPAC Name1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol
SMILESO=[N+]([O-])c1c(NCC(O)c2cc(Cl)cc(Cl)c2)nc2sccn12
InChIInChI=1S/C13H10Cl2N4O3S/c14-8-3-7(4-9(15)5-8)10(20)6-16-11-12(19(21)22)18-1-2-23-13(18)17-11/h1-5,10,16,20H,6H2
InChIKeyJDLRINWDIZZXKE-UHFFFAOYSA-N
XLogP3.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-1-phenylethanol
CID 43393095
3-methoxy-4-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 103153798
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 115578507
4,4-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
CID 102560402
N,N-dimethyl-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetamide
CID 43388438
N-tert-butyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 115609150
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967565
3-methyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butan-1-ol
CID 115650113
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
N,N-diethyl-3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]propanamide
CID 60926523
5-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 79361286
[1-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]cyclohexyl]methanol
CID 115682951

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol (CID 133308109) is 1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol is O=[N+]([O-])c1c(NCC(O)c2cc(Cl)cc(Cl)c2)nc2sccn12.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol?
The InChIKey is JDLRINWDIZZXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O3S/c14-8-3-7(4-9(15)5-8)10(20)6-16-11-12(19(21)22)18-1-2-23-13(18)17-11/h1-5,10,16,20H,6H2.
What are the key properties of 1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol?
1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol has a molecular weight of 373.22 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]ethanol is sourced from PubChem (CID 133308109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).