[6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol

C12H10FN3O3S — CID 82367524

IUPAC[6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESO=[N+]([O-])c1cc(-c2nc3n(c2CO)CCS3)ccc1F
InChIInChI=1S/C12H10FN3O3S/c13-8-2-1-7(5-9(8)16(18)19)11-10(6-17)15-3-4-20-12(15)14-11/h1-2,5,17H,3-4,6H2
InChIKeyDQZKBJRFGRLJBA-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.20
Rot. Bonds3

About [6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol

[6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 82367524) has the molecular formula C12H10FN3O3S and a molecular weight of 295.29 g/mol. Its IUPAC name is [6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID82367524
Molecular FormulaC12H10FN3O3S
Molecular Weight295.29 g/mol
Exact Mass295.04
IUPAC Name[6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESO=[N+]([O-])c1cc(-c2nc3n(c2CO)CCS3)ccc1F
InChIInChI=1S/C12H10FN3O3S/c13-8-2-1-7(5-9(8)16(18)19)11-10(6-17)15-3-4-20-12(15)14-11/h1-2,5,17H,3-4,6H2
InChIKeyDQZKBJRFGRLJBA-UHFFFAOYSA-N
XLogP2.20
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-chloro-5-fluoro-4-(4-fluoro-3-nitrophenyl)pyrimidine
CID 135346621
1,2,3-trichloro-5-(4-fluoro-3-nitrophenyl)benzene
CID 134628234
3-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-5-carboxylic acid
CID 84761093
6-chloro-2-(3,4-difluorophenyl)-3-nitropyridine
CID 79072868
6-(4-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 54770030
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene
CID 46312637
3-(4-fluoro-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761156
6-(4-fluoro-3-nitrophenyl)-2,5-dimethyl-4,5-dihydropyridazin-3-one
CID 22167843
4-(4-fluoro-3-nitrophenyl)-N-methyl-1,3-thiazol-2-amine
CID 114059915
7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 66498127
5-(4-fluoro-3-nitrophenyl)-1,2,4-triazin-3-amine
CID 114059916

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 82367524) is [6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol is O=[N+]([O-])c1cc(-c2nc3n(c2CO)CCS3)ccc1F.
What is the InChIKey of [6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is DQZKBJRFGRLJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3S/c13-8-2-1-7(5-9(8)16(18)19)11-10(6-17)15-3-4-20-12(15)14-11/h1-2,5,17H,3-4,6H2.
What are the key properties of [6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 295.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluoro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 82367524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).