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

C8H9ClN6S — CID 10515267

IUPAC2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
SMILESCc1cn2c(/C=N/N=C(N)N)c(Cl)nc2s1
InChIInChI=1S/C8H9ClN6S/c1-4-3-15-5(2-12-14-7(10)11)6(9)13-8(15)16-4/h2-3H,1H3,(H4,10,11,14)/b12-2+
InChIKeyGTZADVFQFOQUMJ-SWGQDTFXSA-N
MW256.72 g/mol
LogP0.96
Rot. Bonds2

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

2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine (PubChem CID 10515267) has the molecular formula C8H9ClN6S and a molecular weight of 256.72 g/mol. Its IUPAC name is 2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
PubChem CID10515267
Molecular FormulaC8H9ClN6S
Molecular Weight256.72 g/mol
Exact Mass256.03
IUPAC Name2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
SMILESCc1cn2c(/C=N/N=C(N)N)c(Cl)nc2s1
InChIInChI=1S/C8H9ClN6S/c1-4-3-15-5(2-12-14-7(10)11)6(9)13-8(15)16-4/h2-3H,1H3,(H4,10,11,14)/b12-2+
InChIKeyGTZADVFQFOQUMJ-SWGQDTFXSA-N
XLogP0.96
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 50.96
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-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine (CID 10515267) is 2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine is Cc1cn2c(/C=N/N=C(N)N)c(Cl)nc2s1.
What is the InChIKey of 2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
The InChIKey is GTZADVFQFOQUMJ-SWGQDTFXSA-N. The full InChI is InChI=1S/C8H9ClN6S/c1-4-3-15-5(2-12-14-7(10)11)6(9)13-8(15)16-4/h2-3H,1H3,(H4,10,11,14)/b12-2+.
What are the key properties of 2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine?
2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine has a molecular weight of 256.72 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine is sourced from PubChem (CID 10515267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).