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

C13H11ClFN7O2S — CID 57397343

IUPAC2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C\c1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(F)cn12
InChIInChI=1S/C13H10FN7O2S.ClH/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23;/h1-6H,(H4,15,16,19);1H/b17-5-;
InChIKeyXRFCAQDNWHOQQW-PXQSGXIUSA-N
MW383.80 g/mol
LogP2.14
Rot. Bonds4

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

2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (PubChem CID 57397343) has the molecular formula C13H11ClFN7O2S and a molecular weight of 383.80 g/mol. Its IUPAC name is 2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
PubChem CID57397343
Molecular FormulaC13H11ClFN7O2S
Molecular Weight383.80 g/mol
Exact Mass383.04
IUPAC Name2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C\c1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(F)cn12
InChIInChI=1S/C13H10FN7O2S.ClH/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23;/h1-6H,(H4,15,16,19);1H/b17-5-;
InChIKeyXRFCAQDNWHOQQW-PXQSGXIUSA-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

2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 57393798
2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54612616
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 5468547
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 76874394
2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57399028
2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 57395520
2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 11270237
2,3-dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 50878469
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899
6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356743
2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride
CID 135519426
(Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine
CID 6267892

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (CID 57397343) is 2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C\c1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(F)cn12.
What is the InChIKey of 2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The InChIKey is XRFCAQDNWHOQQW-PXQSGXIUSA-N. The full InChI is InChI=1S/C13H10FN7O2S.ClH/c14-10-6-20-9(5-17-19-12(15)16)11(18-13(20)24-10)7-1-3-8(4-2-7)21(22)23;/h1-6H,(H4,15,16,19);1H/b17-5-;.
What are the key properties of 2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
2-[(Z)-[2-fluoro-6-(4-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)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 57397343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).