2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

C13H11ClFN7O2S — CID 57395517

IUPAC2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C\c1c(-c2cccc([N+](=O)[O-])c2F)nc2sccn12
InChIInChI=1S/C13H10FN7O2S.ClH/c14-10-7(2-1-3-8(10)21(22)23)11-9(6-17-19-12(15)16)20-4-5-24-13(20)18-11;/h1-6H,(H4,15,16,19);1H/b17-6-;
InChIKeyKCYOAKSXGXOMFP-MHUGMFFYSA-N
MW383.80 g/mol
LogP2.14
Rot. Bonds4

About 2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (PubChem CID 57395517) has the molecular formula C13H11ClFN7O2S and a molecular weight of 383.80 g/mol. Its IUPAC name is 2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
PubChem CID57395517
Molecular FormulaC13H11ClFN7O2S
Molecular Weight383.80 g/mol
Exact Mass383.04
IUPAC Name2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C\c1c(-c2cccc([N+](=O)[O-])c2F)nc2sccn12
InChIInChI=1S/C13H10FN7O2S.ClH/c14-10-7(2-1-3-8(10)21(22)23)11-9(6-17-19-12(15)16)20-4-5-24-13(20)18-11;/h1-6H,(H4,15,16,19);1H/b17-6-;
InChIKeyKCYOAKSXGXOMFP-MHUGMFFYSA-N
XLogP2.14
TPSA137.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
5-Nitro-2-[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1,3-thiazole
CID 2744259
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 19022684
4-[2-[(Dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579299
Sdccgsbi-0096861.P001
CID 3805128
2-(4-Nitrophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 4587369
4-[2-(6-Phenylimidazo[2,1-b][1,3]thiazol-5-yl)vinyl]-2-pyrimidinamine
CID 5916724
Imidazo(2,1-b)thiazole, 6-(p-chlorophenyl)-5-nitroso-
CID 135672
6-Phenylimidazo[2,1-b]thiazole
CID 320232
3-Methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 336506
6-(4-Iodophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
CID 868205

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (CID 57395517) is 2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C\c1c(-c2cccc([N+](=O)[O-])c2F)nc2sccn12.
What is the InChIKey of 2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The InChIKey is KCYOAKSXGXOMFP-MHUGMFFYSA-N. The full InChI is InChI=1S/C13H10FN7O2S.ClH/c14-10-7(2-1-3-8(10)21(22)23)11-9(6-17-19-12(15)16)20-4-5-24-13(20)18-11;/h1-6H,(H4,15,16,19);1H/b17-6-;.
What are the key properties of 2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride has a molecular weight of 383.80 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[6-(2-fluoro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 57395517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).