N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide

C8H8F3N3OS — CID 3839393

IUPACN,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide
SMILESCN(C)C=Nc1ncc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C8H8F3N3OS/c1-14(2)4-13-7-12-3-5(16-7)6(15)8(9,10)11/h3-4H,1-2H3
InChIKeyVTNJOKGSZCXXBT-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.11
Rot. Bonds3

About N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide

N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide (PubChem CID 3839393) has the molecular formula C8H8F3N3OS and a molecular weight of 251.23 g/mol. Its IUPAC name is N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide
PubChem CID3839393
Molecular FormulaC8H8F3N3OS
Molecular Weight251.23 g/mol
Exact Mass251.03
IUPAC NameN,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide
SMILESCN(C)C=Nc1ncc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C8H8F3N3OS/c1-14(2)4-13-7-12-3-5(16-7)6(15)8(9,10)11/h3-4H,1-2H3
InChIKeyVTNJOKGSZCXXBT-UHFFFAOYSA-N
XLogP2.11
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide (CID 3839393) is N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide is CN(C)C=Nc1ncc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide?
The InChIKey is VTNJOKGSZCXXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3OS/c1-14(2)4-13-7-12-3-5(16-7)6(15)8(9,10)11/h3-4H,1-2H3.
What are the key properties of N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide?
N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide has a molecular weight of 251.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]methanimidamide is sourced from PubChem (CID 3839393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).