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

C21H28N4OS — CID 58283711

IUPACN'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
SMILESCCCN(C)/C=N/c1cc(C)c(Oc2snc(C(C)(C)C)c2C#N)cc1C
InChIInChI=1S/C21H28N4OS/c1-8-9-25(7)13-23-17-10-15(3)18(11-14(17)2)26-20-16(12-22)19(24-27-20)21(4,5)6/h10-11,13H,8-9H2,1-7H3/b23-13+
InChIKeyPMDHHVQTPDEDFH-YDZHTSKRSA-N
MW384.55 g/mol
LogP5.72
Rot. Bonds6

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

N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide (PubChem CID 58283711) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
PubChem CID58283711
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC NameN'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
SMILESCCCN(C)/C=N/c1cc(C)c(Oc2snc(C(C)(C)C)c2C#N)cc1C
InChIInChI=1S/C21H28N4OS/c1-8-9-25(7)13-23-17-10-15(3)18(11-14(17)2)26-20-16(12-22)19(24-27-20)21(4,5)6/h10-11,13H,8-9H2,1-7H3/b23-13+
InChIKeyPMDHHVQTPDEDFH-YDZHTSKRSA-N
XLogP5.72
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 55.72
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-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide 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-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide?
The IUPAC name of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide (CID 58283711) is N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide.
What is the SMILES notation for N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide?
The canonical SMILES for N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide is CCCN(C)/C=N/c1cc(C)c(Oc2snc(C(C)(C)C)c2C#N)cc1C.
What is the InChIKey of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide?
The InChIKey is PMDHHVQTPDEDFH-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-8-9-25(7)13-23-17-10-15(3)18(11-14(17)2)26-20-16(12-22)19(24-27-20)21(4,5)6/h10-11,13H,8-9H2,1-7H3/b23-13+.
What are the key properties of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide?
N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide has a molecular weight of 384.55 g/mol, XLogP of 5.72, 6 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-methyl-N-propylmethanimidamide is sourced from PubChem (CID 58283711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).