N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C16H17ClN4OS — CID 58214455

IUPACN'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2nc(C#N)c(Cl)s2)cc1C
InChIInChI=1S/C16H17ClN4OS/c1-5-21(4)9-19-12-6-11(3)14(7-10(12)2)22-16-20-13(8-18)15(17)23-16/h6-7,9H,5H2,1-4H3/b19-9+
InChIKeyFJSSGBCUPHHEAO-DJKKODMXSA-N
MW348.86 g/mol
LogP4.69
Rot. Bonds5

About N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 58214455) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID58214455
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC NameN'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2nc(C#N)c(Cl)s2)cc1C
InChIInChI=1S/C16H17ClN4OS/c1-5-21(4)9-19-12-6-11(3)14(7-10(12)2)22-16-20-13(8-18)15(17)23-16/h6-7,9H,5H2,1-4H3/b19-9+
InChIKeyFJSSGBCUPHHEAO-DJKKODMXSA-N
XLogP4.69
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 58214455) is N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2nc(C#N)c(Cl)s2)cc1C.
What is the InChIKey of N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is FJSSGBCUPHHEAO-DJKKODMXSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c1-5-21(4)9-19-12-6-11(3)14(7-10(12)2)22-16-20-13(8-18)15(17)23-16/h6-7,9H,5H2,1-4H3/b19-9+.
What are the key properties of N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 348.86 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(5-chloro-4-cyano-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 58214455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).