N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate

C13H10F3N2OS- — CID 59280725

IUPACN,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate
SMILESC/N=C(\[O-])c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C13H11F3N2OS/c1-7-10(11(19)17-2)20-12(18-7)8-3-5-9(6-4-8)13(14,15)16/h3-6H,1-2H3,(H,17,19)/p-1
InChIKeyNGKZYIDFBCYDJZ-UHFFFAOYSA-M
MW299.30 g/mol
LogP2.87
Rot. Bonds2

About N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate

N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate (PubChem CID 59280725) has the molecular formula C13H10F3N2OS- and a molecular weight of 299.30 g/mol. Its IUPAC name is N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate.

Molecular Properties

Compound NameN,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate
PubChem CID59280725
Molecular FormulaC13H10F3N2OS-
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC NameN,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate
SMILESC/N=C(\[O-])c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C13H11F3N2OS/c1-7-10(11(19)17-2)20-12(18-7)8-3-5-9(6-4-8)13(14,15)16/h3-6H,1-2H3,(H,17,19)/p-1
InChIKeyNGKZYIDFBCYDJZ-UHFFFAOYSA-M
XLogP2.87
TPSA48.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.87
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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Related Compounds

[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
CID 67450720
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 31861302
N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30345026
1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
CID 6421436
1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
CID 152502733
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487
4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162549290
ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol
CID 143433872

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate?
The IUPAC name of N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate (CID 59280725) is N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate.
What is the SMILES notation for N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate?
The canonical SMILES for N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate is C/N=C(\[O-])c1sc(-c2ccc(C(F)(F)F)cc2)nc1C.
What is the InChIKey of N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate?
The InChIKey is NGKZYIDFBCYDJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11F3N2OS/c1-7-10(11(19)17-2)20-12(18-7)8-3-5-9(6-4-8)13(14,15)16/h3-6H,1-2H3,(H,17,19)/p-1.
What are the key properties of N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate?
N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate has a molecular weight of 299.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate is sourced from PubChem (CID 59280725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).