N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide

C20H26N4OS — CID 66691094

IUPACN'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCCC(C)(C)c1nsc(Oc2cc(C)c(/N=C/N(C)C)cc2C)c1C#N
InChIInChI=1S/C20H26N4OS/c1-8-20(4,5)18-15(11-21)19(26-23-18)25-17-10-13(2)16(9-14(17)3)22-12-24(6)7/h9-10,12H,8H2,1-7H3/b22-12+
InChIKeyZENIYGAGHUSTKO-WSDLNYQXSA-N
MW370.52 g/mol
LogP5.33
Rot. Bonds6

About N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide

N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (PubChem CID 66691094) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
PubChem CID66691094
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCCC(C)(C)c1nsc(Oc2cc(C)c(/N=C/N(C)C)cc2C)c1C#N
InChIInChI=1S/C20H26N4OS/c1-8-20(4,5)18-15(11-21)19(26-23-18)25-17-10-13(2)16(9-14(17)3)22-12-24(6)7/h9-10,12H,8H2,1-7H3/b22-12+
InChIKeyZENIYGAGHUSTKO-WSDLNYQXSA-N
XLogP5.33
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (CID 66691094) is N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is CCC(C)(C)c1nsc(Oc2cc(C)c(/N=C/N(C)C)cc2C)c1C#N.
What is the InChIKey of N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The InChIKey is ZENIYGAGHUSTKO-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-8-20(4,5)18-15(11-21)19(26-23-18)25-17-10-13(2)16(9-14(17)3)22-12-24(6)7/h9-10,12H,8H2,1-7H3/b22-12+.
What are the key properties of N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide has a molecular weight of 370.52 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 66691094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).