2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine

C15H14ClN7O4S — CID 11235579

IUPAC2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N/N=C(N)N
InChIInChI=1S/C15H14ClN7O4S/c1-26-10-4-8(23(24)25)11(27-2)3-7(10)13-9(5-19-21-14(17)18)22-6-12(16)28-15(22)20-13/h3-6H,1-2H3,(H4,17,18,21)/b19-5+
InChIKeyDDVBAYGFXWDOGT-PTXOJBNSSA-N
MW423.84 g/mol
LogP2.25
Rot. Bonds6

About 2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine

2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine (PubChem CID 11235579) has the molecular formula C15H14ClN7O4S and a molecular weight of 423.84 g/mol. Its IUPAC name is 2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
PubChem CID11235579
Molecular FormulaC15H14ClN7O4S
Molecular Weight423.84 g/mol
Exact Mass423.05
IUPAC Name2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N/N=C(N)N
InChIInChI=1S/C15H14ClN7O4S/c1-26-10-4-8(23(24)25)11(27-2)3-7(10)13-9(5-19-21-14(17)18)22-6-12(16)28-15(22)20-13/h3-6H,1-2H3,(H4,17,18,21)/b19-5+
InChIKeyDDVBAYGFXWDOGT-PTXOJBNSSA-N
XLogP2.25
TPSA155.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine 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-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine (CID 11235579) is 2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine is COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N/N=C(N)N.
What is the InChIKey of 2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The InChIKey is DDVBAYGFXWDOGT-PTXOJBNSSA-N. The full InChI is InChI=1S/C15H14ClN7O4S/c1-26-10-4-8(23(24)25)11(27-2)3-7(10)13-9(5-19-21-14(17)18)22-6-12(16)28-15(22)20-13/h3-6H,1-2H3,(H4,17,18,21)/b19-5+.
What are the key properties of 2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine has a molecular weight of 423.84 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine is sourced from PubChem (CID 11235579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).