N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide

C17H20F3N3S — CID 90185408

IUPACN'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(C(F)(F)F)cs2)cc1C
InChIInChI=1S/C17H20F3N3S/c1-5-23(4)10-21-14-7-11(2)13(6-12(14)3)8-16-22-15(9-24-16)17(18,19)20/h6-7,9-10H,5,8H2,1-4H3/b21-10+
InChIKeySWWYYTLZUFUKKM-UFFVCSGVSA-N
MW355.43 g/mol
LogP4.98
Rot. Bonds5

About N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 90185408) has the molecular formula C17H20F3N3S and a molecular weight of 355.43 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID90185408
Molecular FormulaC17H20F3N3S
Molecular Weight355.43 g/mol
Exact Mass355.13
IUPAC NameN'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(C(F)(F)F)cs2)cc1C
InChIInChI=1S/C17H20F3N3S/c1-5-23(4)10-21-14-7-11(2)13(6-12(14)3)8-16-22-15(9-24-16)17(18,19)20/h6-7,9-10H,5,8H2,1-4H3/b21-10+
InChIKeySWWYYTLZUFUKKM-UFFVCSGVSA-N
XLogP4.98
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide (CID 90185408) is N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Cc2nc(C(F)(F)F)cs2)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is SWWYYTLZUFUKKM-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H20F3N3S/c1-5-23(4)10-21-14-7-11(2)13(6-12(14)3)8-16-22-15(9-24-16)17(18,19)20/h6-7,9-10H,5,8H2,1-4H3/b21-10+.
What are the key properties of N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 355.43 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 90185408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).