(E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine

C19H23N5O2S — CID 155536073

IUPAC(E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine
SMILESCCCc1nnsc1CO/N=C/c1c(C)nn(C)c1Oc1ccccc1C
InChIInChI=1S/C19H23N5O2S/c1-5-8-16-18(27-23-21-16)12-25-20-11-15-14(3)22-24(4)19(15)26-17-10-7-6-9-13(17)2/h6-7,9-11H,5,8,12H2,1-4H3/b20-11+
InChIKeyZXEBGFMVIZMQHP-RGVLZGJSSA-N
MW385.49 g/mol
LogP4.18
Rot. Bonds8

About (E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine

(E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine (PubChem CID 155536073) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is (E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine
PubChem CID155536073
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name(E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine
SMILESCCCc1nnsc1CO/N=C/c1c(C)nn(C)c1Oc1ccccc1C
InChIInChI=1S/C19H23N5O2S/c1-5-8-16-18(27-23-21-16)12-25-20-11-15-14(3)22-24(4)19(15)26-17-10-7-6-9-13(17)2/h6-7,9-11H,5,8,12H2,1-4H3/b20-11+
InChIKeyZXEBGFMVIZMQHP-RGVLZGJSSA-N
XLogP4.18
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[5-(4-bromophenoxy)-1,3-dimethylpyrazol-4-yl]-N-[(4-methylthiadiazol-5-yl)methoxy]methanimine
CID 155534157
(E)-1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-[(4-methylthiadiazol-5-yl)methoxy]methanimine
CID 155546005
(E)-1-[5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine
CID 155549532
(E)-1-[5-(3,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-[(4-methylthiadiazol-5-yl)methoxy]methanimine
CID 155562068
(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(4-methylphenyl)methoxy]methanimine
CID 14300832
(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 14300833
(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(3-methoxyphenyl)methoxy]methanimine
CID 44399563
(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-(2-pyrrolidin-1-ylethoxy)methanimine
CID 44399640
2-[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxy-N,N-dimethylethanamine
CID 44399699
(E)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methanimine
CID 145987150
(E)-1-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-[(4-methylthiadiazol-5-yl)methoxy]methanimine
CID 155515435
(E)-1-[1,3-dimethyl-5-[2-(trifluoromethoxy)phenoxy]pyrazol-4-yl]-N-[(4-methylthiadiazol-5-yl)methoxy]methanimine
CID 155528273

Frequently Asked Questions

What is the IUPAC name of (E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine?
The IUPAC name of (E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine (CID 155536073) is (E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine.
What is the SMILES notation for (E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine?
The canonical SMILES for (E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine is CCCc1nnsc1CO/N=C/c1c(C)nn(C)c1Oc1ccccc1C.
What is the InChIKey of (E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine?
The InChIKey is ZXEBGFMVIZMQHP-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-5-8-16-18(27-23-21-16)12-25-20-11-15-14(3)22-24(4)19(15)26-17-10-7-6-9-13(17)2/h6-7,9-11H,5,8,12H2,1-4H3/b20-11+.
What are the key properties of (E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine?
(E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine has a molecular weight of 385.49 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]-N-[(4-propylthiadiazol-5-yl)methoxy]methanimine is sourced from PubChem (CID 155536073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).