N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide

C17H23N3OS — CID 76889643

IUPACN'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
SMILESCc1nc(CC(N)=NOCc2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C17H23N3OS/c1-12-19-15(11-22-12)9-16(18)20-21-10-13-5-7-14(8-6-13)17(2,3)4/h5-8,11H,9-10H2,1-4H3,(H2,18,20)
InChIKeyHNCVOVUIARTAQD-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.78
Rot. Bonds5

About N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide

N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide (PubChem CID 76889643) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
PubChem CID76889643
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
SMILESCc1nc(CC(N)=NOCc2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C17H23N3OS/c1-12-19-15(11-22-12)9-16(18)20-21-10-13-5-7-14(8-6-13)17(2,3)4/h5-8,11H,9-10H2,1-4H3,(H2,18,20)
InChIKeyHNCVOVUIARTAQD-UHFFFAOYSA-N
XLogP3.78
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(3,4-dichlorophenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 75268261
N'-[(3,5-dimethylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76870733
N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76889668
N'-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 76870735
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618
2-(2-methyl-1,3-thiazol-4-yl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]ethanimidamide
CID 76889666
N'-[2-(2,5-dimethylphenoxy)ethoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 95678983
(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328053
2-[(E)-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 60523791
2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-methylphenyl)acetamide
CID 75134438
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
2-[[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-(3-iodophenyl)acetamide
CID 75136872

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
The IUPAC name of N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide (CID 76889643) is N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide.
What is the SMILES notation for N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
The canonical SMILES for N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide is Cc1nc(CC(N)=NOCc2ccc(C(C)(C)C)cc2)cs1.
What is the InChIKey of N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
The InChIKey is HNCVOVUIARTAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12-19-15(11-22-12)9-16(18)20-21-10-13-5-7-14(8-6-13)17(2,3)4/h5-8,11H,9-10H2,1-4H3,(H2,18,20).
What are the key properties of N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide?
N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide has a molecular weight of 317.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butylphenyl)methoxy]-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide is sourced from PubChem (CID 76889643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).