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

C18H22N4OS — CID 66691323

IUPACN'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2snc(C(C)C)c2C#N)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C18H22N4OS/c1-11(2)17-14(9-19)18(24-21-17)23-16-8-12(3)15(7-13(16)4)20-10-22(5)6/h7-8,10-11H,1-6H3/b20-10+
InChIKeyZSNVJAKUNSCTRR-KEBDBYFISA-N
MW342.47 g/mol
LogP4.77
Rot. Bonds5

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

N'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (PubChem CID 66691323) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
PubChem CID66691323
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2snc(C(C)C)c2C#N)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C18H22N4OS/c1-11(2)17-14(9-19)18(24-21-17)23-16-8-12(3)15(7-13(16)4)20-10-22(5)6/h7-8,10-11H,1-6H3/b20-10+
InChIKeyZSNVJAKUNSCTRR-KEBDBYFISA-N
XLogP4.77
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.77
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'}

Analyze N'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (CID 66691323) is N'-[4-[(4-cyano-3-propan-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-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is Cc1cc(Oc2snc(C(C)C)c2C#N)c(C)cc1/N=C/N(C)C.
What is the InChIKey of N'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The InChIKey is ZSNVJAKUNSCTRR-KEBDBYFISA-N. The full InChI is InChI=1S/C18H22N4OS/c1-11(2)17-14(9-19)18(24-21-17)23-16-8-12(3)15(7-13(16)4)20-10-22(5)6/h7-8,10-11H,1-6H3/b20-10+.
What are the key properties of N'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
N'-[4-[(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide has a molecular weight of 342.47 g/mol, XLogP of 4.77, 5 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-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 66691323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).