2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

C13H10ClF3N6S — CID 57399028

IUPAC2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C\c1c(-c2cc(F)c(F)cc2F)nc2sccn12
InChIInChI=1S/C13H9F3N6S.ClH/c14-7-4-9(16)8(15)3-6(7)11-10(5-19-21-12(17)18)22-1-2-23-13(22)20-11;/h1-5H,(H4,17,18,21);1H/b19-5-;
InChIKeyFRCXFJFDSZJBOZ-ZYQHVCNLSA-N
MW374.78 g/mol
LogP2.51
Rot. Bonds3

About 2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride

2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (PubChem CID 57399028) has the molecular formula C13H10ClF3N6S and a molecular weight of 374.78 g/mol. Its IUPAC name is 2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
PubChem CID57399028
Molecular FormulaC13H10ClF3N6S
Molecular Weight374.78 g/mol
Exact Mass374.03
IUPAC Name2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C\c1c(-c2cc(F)c(F)cc2F)nc2sccn12
InChIInChI=1S/C13H9F3N6S.ClH/c14-7-4-9(16)8(15)3-6(7)11-10(5-19-21-12(17)18)22-1-2-23-13(22)20-11;/h1-5H,(H4,17,18,21);1H/b19-5-;
InChIKeyFRCXFJFDSZJBOZ-ZYQHVCNLSA-N
XLogP2.51
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride (CID 57399028) is 2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C\c1c(-c2cc(F)c(F)cc2F)nc2sccn12.
What is the InChIKey of 2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
The InChIKey is FRCXFJFDSZJBOZ-ZYQHVCNLSA-N. The full InChI is InChI=1S/C13H9F3N6S.ClH/c14-7-4-9(16)8(15)3-6(7)11-10(5-19-21-12(17)18)22-1-2-23-13(22)20-11;/h1-5H,(H4,17,18,21);1H/b19-5-;.
What are the key properties of 2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride?
2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride has a molecular weight of 374.78 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 57399028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).