2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

C14H13ClFN7O2S — CID 57390272

IUPAC2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCc1cn2c(/C=N\N=C(N)N)c(-c3ccc(F)c([N+](=O)[O-])c3)nc2s1.Cl
InChIInChI=1S/C14H12FN7O2S.ClH/c1-7-6-21-11(5-18-20-13(16)17)12(19-14(21)25-7)8-2-3-9(15)10(4-8)22(23)24;/h2-6H,1H3,(H4,16,17,20);1H/b18-5-;
InChIKeyMFFXNOPTMZOJNF-CVIBNLPVSA-N
MW397.82 g/mol
LogP2.45
Rot. Bonds4

About 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (PubChem CID 57390272) has the molecular formula C14H13ClFN7O2S and a molecular weight of 397.82 g/mol. Its IUPAC name is 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
PubChem CID57390272
Molecular FormulaC14H13ClFN7O2S
Molecular Weight397.82 g/mol
Exact Mass397.05
IUPAC Name2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCc1cn2c(/C=N\N=C(N)N)c(-c3ccc(F)c([N+](=O)[O-])c3)nc2s1.Cl
InChIInChI=1S/C14H12FN7O2S.ClH/c1-7-6-21-11(5-18-20-13(16)17)12(19-14(21)25-7)8-2-3-9(15)10(4-8)22(23)24;/h2-6H,1H3,(H4,16,17,20);1H/b18-5-;
InChIKeyMFFXNOPTMZOJNF-CVIBNLPVSA-N
XLogP2.45
TPSA137.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 52.45
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'}

Analyze 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (CID 57390272) is 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is Cc1cn2c(/C=N\N=C(N)N)c(-c3ccc(F)c([N+](=O)[O-])c3)nc2s1.Cl.
What is the InChIKey of 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The InChIKey is MFFXNOPTMZOJNF-CVIBNLPVSA-N. The full InChI is InChI=1S/C14H12FN7O2S.ClH/c1-7-6-21-11(5-18-20-13(16)17)12(19-14(21)25-7)8-2-3-9(15)10(4-8)22(23)24;/h2-6H,1H3,(H4,16,17,20);1H/b18-5-;.
What are the key properties of 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride has a molecular weight of 397.82 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[6-(4-fluoro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 57390272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).