2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine

C14H11F3N6S — CID 57395520

IUPAC2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SMILESNC(N)=N/N=C\c1c(-c2cccc(C(F)(F)F)c2)nc2sccn12
InChIInChI=1S/C14H11F3N6S/c15-14(16,17)9-3-1-2-8(6-9)11-10(7-20-22-12(18)19)23-4-5-24-13(23)21-11/h1-7H,(H4,18,19,22)/b20-7-
InChIKeyWTQLRECSUZDYRV-SCDVKCJHSA-N
MW352.35 g/mol
LogP2.69
Rot. Bonds3

About 2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine

2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine (PubChem CID 57395520) has the molecular formula C14H11F3N6S and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
PubChem CID57395520
Molecular FormulaC14H11F3N6S
Molecular Weight352.35 g/mol
Exact Mass352.07
IUPAC Name2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
SMILESNC(N)=N/N=C\c1c(-c2cccc(C(F)(F)F)c2)nc2sccn12
InChIInChI=1S/C14H11F3N6S/c15-14(16,17)9-3-1-2-8(6-9)11-10(7-20-22-12(18)19)23-4-5-24-13(23)21-11/h1-7H,(H4,18,19,22)/b20-7-
InChIKeyWTQLRECSUZDYRV-SCDVKCJHSA-N
XLogP2.69
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.69
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-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine (CID 57395520) is 2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine is NC(N)=N/N=C\c1c(-c2cccc(C(F)(F)F)c2)nc2sccn12.
What is the InChIKey of 2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
The InChIKey is WTQLRECSUZDYRV-SCDVKCJHSA-N. The full InChI is InChI=1S/C14H11F3N6S/c15-14(16,17)9-3-1-2-8(6-9)11-10(7-20-22-12(18)19)23-4-5-24-13(23)21-11/h1-7H,(H4,18,19,22)/b20-7-.
What are the key properties of 2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine?
2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine has a molecular weight of 352.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine is sourced from PubChem (CID 57395520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).