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

C19H24N4OS — CID 66689688

IUPACN'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2snc(C(C)(C)C)c2C#N)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C19H24N4OS/c1-12-9-16(13(2)8-15(12)21-11-23(6)7)24-18-14(10-20)17(22-25-18)19(3,4)5/h8-9,11H,1-7H3/b21-11+
InChIKeyANLRDUIUQLIOAH-SRZZPIQSSA-N
MW356.50 g/mol
LogP4.94
Rot. Bonds4

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

N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (PubChem CID 66689688) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
PubChem CID66689688
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2snc(C(C)(C)C)c2C#N)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C19H24N4OS/c1-12-9-16(13(2)8-15(12)21-11-23(6)7)24-18-14(10-20)17(22-25-18)19(3,4)5/h8-9,11H,1-7H3/b21-11+
InChIKeyANLRDUIUQLIOAH-SRZZPIQSSA-N
XLogP4.94
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.94
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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Related Compounds

N'-[4-[[4-cyano-3-(2-methylbutan-2-yl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66691094
N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
CID 58283711
N'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66691323
N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66690964
N'-[4-[(4-cyano-3-cyclohexyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66691011
N'-[4-[[3-(4-chlorophenyl)-4-cyano-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66691364
N'-[4-[[4-cyano-3-(2,2-dichloro-1-ethyl-3-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66691036
N'-[4-[(4-cyano-3-cyclohexyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
CID 66691494
N'-[2-chloro-4-[[4-cyano-3-(4-fluorophenyl)-1,2-thiazol-5-yl]oxy]-5-methylphenyl]-N,N-dimethylmethanimidamide
CID 66691308
N'-[4-[[4-cyano-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 66690168
N'-[2-chloro-4-[[4-cyano-3-(1-phenylethyl)-1,2-thiazol-5-yl]oxy]-5-methylphenyl]-N,N-dimethylmethanimidamide
CID 66691277
3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
CID 141277348

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (CID 66689688) is N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is Cc1cc(Oc2snc(C(C)(C)C)c2C#N)c(C)cc1/N=C/N(C)C.
What is the InChIKey of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The InChIKey is ANLRDUIUQLIOAH-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-12-9-16(13(2)8-15(12)21-11-23(6)7)24-18-14(10-20)17(22-25-18)19(3,4)5/h8-9,11H,1-7H3/b21-11+.
What are the key properties of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide has a molecular weight of 356.50 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 66689688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).