[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol

C13H11N3O4S — CID 115332158

IUPAC[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCc2cn3ccsc3n2)c(CO)c1
InChIInChI=1S/C13H11N3O4S/c17-7-9-5-11(16(18)19)1-2-12(9)20-8-10-6-15-3-4-21-13(15)14-10/h1-6,17H,7-8H2
InChIKeyYMOSIKQIPZYFQU-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.38
Rot. Bonds5

About [2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol

[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol (PubChem CID 115332158) has the molecular formula C13H11N3O4S and a molecular weight of 305.32 g/mol. Its IUPAC name is [2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol
PubChem CID115332158
Molecular FormulaC13H11N3O4S
Molecular Weight305.32 g/mol
Exact Mass305.05
IUPAC Name[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCc2cn3ccsc3n2)c(CO)c1
InChIInChI=1S/C13H11N3O4S/c17-7-9-5-11(16(18)19)1-2-12(9)20-8-10-6-15-3-4-21-13(15)14-10/h1-6,17H,7-8H2
InChIKeyYMOSIKQIPZYFQU-UHFFFAOYSA-N
XLogP2.38
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
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

6-[(2-bromo-5-nitrophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 103013389
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-methoxyphenyl]methanol
CID 115332156
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-nitrophenyl]methanamine
CID 115331283
[5-nitro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487346
[5-nitro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487358
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 23853914
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238

Frequently Asked Questions

What is the IUPAC name of [2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol?
The IUPAC name of [2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol (CID 115332158) is [2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol.
What is the SMILES notation for [2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol?
The canonical SMILES for [2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol is O=[N+]([O-])c1ccc(OCc2cn3ccsc3n2)c(CO)c1.
What is the InChIKey of [2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol?
The InChIKey is YMOSIKQIPZYFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c17-7-9-5-11(16(18)19)1-2-12(9)20-8-10-6-15-3-4-21-13(15)14-10/h1-6,17H,7-8H2.
What are the key properties of [2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol?
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol has a molecular weight of 305.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-5-nitrophenyl]methanol is sourced from PubChem (CID 115332158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).