2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine

C7H6Cl2N6S — CID 10802452

IUPAC2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1c(Cl)nc2sc(Cl)cn12
InChIInChI=1S/C7H6Cl2N6S/c8-4-2-15-3(1-12-14-6(10)11)5(9)13-7(15)16-4/h1-2H,(H4,10,11,14)/b12-1+
InChIKeyOBFONVCBQUTTGU-PCHRDZKRSA-N
MW277.14 g/mol
LogP1.31
Rot. Bonds2

About 2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine

2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine (PubChem CID 10802452) has the molecular formula C7H6Cl2N6S and a molecular weight of 277.14 g/mol. Its IUPAC name is 2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
PubChem CID10802452
Molecular FormulaC7H6Cl2N6S
Molecular Weight277.14 g/mol
Exact Mass275.98
IUPAC Name2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1c(Cl)nc2sc(Cl)cn12
InChIInChI=1S/C7H6Cl2N6S/c8-4-2-15-3(1-12-14-6(10)11)5(9)13-7(15)16-4/h1-2H,(H4,10,11,14)/b12-1+
InChIKeyOBFONVCBQUTTGU-PCHRDZKRSA-N
XLogP1.31
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
CID 333028
Imidazo(2,1-b)thiazole-5-carboximidamide, 6-chloro-N-hydroxy-
CID 5747923
1-[(E)-(6-chloroimidazo[2,1-b]thiazol-5-yl)methyleneamino]guanidine
CID 9571910
2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 10515267
2-[(E)-(6-chloro-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 10778493
2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
CID 45265236
6-Chloroimidazo(2,1-b)thiazole-5-carboxaldehyde oxime
CID 333026
6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde oxime
CID 9555500
5-(Chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole hydrochloride
CID 71779139
6-Chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 130067175
2-[(E)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 9571911
2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 10421089

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine (CID 10802452) is 2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine is NC(N)=N/N=C/c1c(Cl)nc2sc(Cl)cn12.
What is the InChIKey of 2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The InChIKey is OBFONVCBQUTTGU-PCHRDZKRSA-N. The full InChI is InChI=1S/C7H6Cl2N6S/c8-4-2-15-3(1-12-14-6(10)11)5(9)13-7(15)16-4/h1-2H,(H4,10,11,14)/b12-1+.
What are the key properties of 2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine has a molecular weight of 277.14 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,6-dichloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine is sourced from PubChem (CID 10802452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).