N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C17H23ClN4OS — CID 58214416

IUPACN'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Cl)c(Oc2nc(C(C)(C)C)ns2)cc1C
InChIInChI=1S/C17H23ClN4OS/c1-7-22(6)10-19-13-9-12(18)14(8-11(13)2)23-16-20-15(21-24-16)17(3,4)5/h8-10H,7H2,1-6H3/b19-10+
InChIKeyTVOJSGWRTPTLMI-VXLYETTFSA-N
MW366.92 g/mol
LogP5.20
Rot. Bonds5

About N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 58214416) has the molecular formula C17H23ClN4OS and a molecular weight of 366.92 g/mol. Its IUPAC name is N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID58214416
Molecular FormulaC17H23ClN4OS
Molecular Weight366.92 g/mol
Exact Mass366.13
IUPAC NameN'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Cl)c(Oc2nc(C(C)(C)C)ns2)cc1C
InChIInChI=1S/C17H23ClN4OS/c1-7-22(6)10-19-13-9-12(18)14(8-11(13)2)23-16-20-15(21-24-16)17(3,4)5/h8-10H,7H2,1-6H3/b19-10+
InChIKeyTVOJSGWRTPTLMI-VXLYETTFSA-N
XLogP5.20
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.92
LogP ≤ 55.20
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-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 58214416) is N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Cl)c(Oc2nc(C(C)(C)C)ns2)cc1C.
What is the InChIKey of N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is TVOJSGWRTPTLMI-VXLYETTFSA-N. The full InChI is InChI=1S/C17H23ClN4OS/c1-7-22(6)10-19-13-9-12(18)14(8-11(13)2)23-16-20-15(21-24-16)17(3,4)5/h8-10H,7H2,1-6H3/b19-10+.
What are the key properties of N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 366.92 g/mol, XLogP of 5.20, 5 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-1,2,4-thiadiazol-5-yl)oxy]-5-chloro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 58214416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).