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

C15H15N7O4S — CID 11270237

IUPAC2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SMILESCOc1cc(OC)c([N+](=O)[O-])cc1-c1nc2sccn2c1/C=N/N=C(N)N
InChIInChI=1S/C15H15N7O4S/c1-25-11-6-12(26-2)9(22(23)24)5-8(11)13-10(7-18-20-14(16)17)21-3-4-27-15(21)19-13/h3-7H,1-2H3,(H4,16,17,20)/b18-7+
InChIKeyRVKPSLLVCLYWCM-CNHKJKLMSA-N
MW389.40 g/mol
LogP1.60
Rot. Bonds6

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

2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine (PubChem CID 11270237) has the molecular formula C15H15N7O4S and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
PubChem CID11270237
Molecular FormulaC15H15N7O4S
Molecular Weight389.40 g/mol
Exact Mass389.09
IUPAC Name2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SMILESCOc1cc(OC)c([N+](=O)[O-])cc1-c1nc2sccn2c1/C=N/N=C(N)N
InChIInChI=1S/C15H15N7O4S/c1-25-11-6-12(26-2)9(22(23)24)5-8(11)13-10(7-18-20-14(16)17)21-3-4-27-15(21)19-13/h3-7H,1-2H3,(H4,16,17,20)/b18-7+
InChIKeyRVKPSLLVCLYWCM-CNHKJKLMSA-N
XLogP1.60
TPSA155.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 51.60
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'}

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Related Compounds

2-[(E)-[2-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]guanidine
CID 54771592
2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54612616
2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57399028
2-[(E)-[6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;tetrahydrochloride
CID 135519426
2-[(E)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 45262277
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 5468547
6-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24822923
2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 57395520
2-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 118705656
6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3524913
2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine
CID 85064349
2-[(Z)-[2-fluoro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 57397343

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine (CID 11270237) is 2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine is COc1cc(OC)c([N+](=O)[O-])cc1-c1nc2sccn2c1/C=N/N=C(N)N.
What is the InChIKey of 2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The InChIKey is RVKPSLLVCLYWCM-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H15N7O4S/c1-25-11-6-12(26-2)9(22(23)24)5-8(11)13-10(7-18-20-14(16)17)21-3-4-27-15(21)19-13/h3-7H,1-2H3,(H4,16,17,20)/b18-7+.
What are the key properties of 2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine has a molecular weight of 389.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[6-(2,4-dimethoxy-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine is sourced from PubChem (CID 11270237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).