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

C9H12N6S — CID 76874394

IUPAC2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
SMILESCc1cn2c(C=NN=C(N)N)c(C)nc2s1
InChIInChI=1S/C9H12N6S/c1-5-4-15-7(3-12-14-8(10)11)6(2)13-9(15)16-5/h3-4H,1-2H3,(H4,10,11,14)
InChIKeyRPGLLRSCFBPLOD-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.62
Rot. Bonds2

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

2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine (PubChem CID 76874394) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
PubChem CID76874394
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
SMILESCc1cn2c(C=NN=C(N)N)c(C)nc2s1
InChIInChI=1S/C9H12N6S/c1-5-4-15-7(3-12-14-8(10)11)6(2)13-9(15)16-5/h3-4H,1-2H3,(H4,10,11,14)
InChIKeyRPGLLRSCFBPLOD-UHFFFAOYSA-N
XLogP0.62
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.62
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine (CID 76874394) is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine is Cc1cn2c(C=NN=C(N)N)c(C)nc2s1.
What is the InChIKey of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The InChIKey is RPGLLRSCFBPLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-5-4-15-7(3-12-14-8(10)11)6(2)13-9(15)16-5/h3-4H,1-2H3,(H4,10,11,14).
What are the key properties of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine has a molecular weight of 236.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine is sourced from PubChem (CID 76874394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).