2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

C14H14ClFN6S — CID 54771164

IUPAC2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCc1cn2c(/C=N/N=C(N)N)c(-c3ccc(F)cc3)nc2s1.Cl
InChIInChI=1S/C14H13FN6S.ClH/c1-8-7-21-11(6-18-20-13(16)17)12(19-14(21)22-8)9-2-4-10(15)5-3-9;/h2-7H,1H3,(H4,16,17,20);1H/b18-6+;
InChIKeyAWEQOHYSEQSECG-TWFGXWKLSA-N
MW352.83 g/mol
LogP2.54
Rot. Bonds3

About 2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (PubChem CID 54771164) has the molecular formula C14H14ClFN6S and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
PubChem CID54771164
Molecular FormulaC14H14ClFN6S
Molecular Weight352.83 g/mol
Exact Mass352.07
IUPAC Name2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCc1cn2c(/C=N/N=C(N)N)c(-c3ccc(F)cc3)nc2s1.Cl
InChIInChI=1S/C14H13FN6S.ClH/c1-8-7-21-11(6-18-20-13(16)17)12(19-14(21)22-8)9-2-4-10(15)5-3-9;/h2-7H,1H3,(H4,16,17,20);1H/b18-6+;
InChIKeyAWEQOHYSEQSECG-TWFGXWKLSA-N
XLogP2.54
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 52.54
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-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (CID 54771164) is 2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is Cc1cn2c(/C=N/N=C(N)N)c(-c3ccc(F)cc3)nc2s1.Cl.
What is the InChIKey of 2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The InChIKey is AWEQOHYSEQSECG-TWFGXWKLSA-N. The full InChI is InChI=1S/C14H13FN6S.ClH/c1-8-7-21-11(6-18-20-13(16)17)12(19-14(21)22-8)9-2-4-10(15)5-3-9;/h2-7H,1H3,(H4,16,17,20);1H/b18-6+;.
What are the key properties of 2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 54771164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).