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

C22H22N4OS — CID 66689960

IUPACN'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1ccc(-c2nsc(Oc3cc(C)c(/N=C/N(C)C)cc3C)c2C#N)cc1
InChIInChI=1S/C22H22N4OS/c1-14-6-8-17(9-7-14)21-18(12-23)22(28-25-21)27-20-11-15(2)19(10-16(20)3)24-13-26(4)5/h6-11,13H,1-5H3/b24-13+
InChIKeyDNSLMDXHWYQBCV-ZMOGYAJESA-N
MW390.51 g/mol
LogP5.62
Rot. Bonds5

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

N'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (PubChem CID 66689960) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is N'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
PubChem CID66689960
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC NameN'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1ccc(-c2nsc(Oc3cc(C)c(/N=C/N(C)C)cc3C)c2C#N)cc1
InChIInChI=1S/C22H22N4OS/c1-14-6-8-17(9-7-14)21-18(12-23)22(28-25-21)27-20-11-15(2)19(10-16(20)3)24-13-26(4)5/h6-11,13H,1-5H3/b24-13+
InChIKeyDNSLMDXHWYQBCV-ZMOGYAJESA-N
XLogP5.62
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.62
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-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide with MolForge

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Related Compounds

CID 66689933
CID 66689933
CID 66690090
CID 66690090
CID 66690103
CID 66690103
CID 66690180
CID 66690180
CID 66690181
CID 66690181
CID 66690224
CID 66690224
CID 66690247
CID 66690247
CID 66690294
CID 66690294
CID 66690296
CID 66690296
CID 66690371
CID 66690371
CID 66690380
CID 66690380
CID 66690485
CID 66690485

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (CID 66689960) is N'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is Cc1ccc(-c2nsc(Oc3cc(C)c(/N=C/N(C)C)cc3C)c2C#N)cc1.
What is the InChIKey of N'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The InChIKey is DNSLMDXHWYQBCV-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H22N4OS/c1-14-6-8-17(9-7-14)21-18(12-23)22(28-25-21)27-20-11-15(2)19(10-16(20)3)24-13-26(4)5/h6-11,13H,1-5H3/b24-13+.
What are the key properties of N'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
N'-[4-[[4-cyano-3-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide has a molecular weight of 390.51 g/mol, XLogP of 5.62, 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-(4-methylphenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 66689960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).