1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine

C18H20N3OPS — CID 129262978

IUPAC1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine
SMILESCc1cccc(N(C)N)c1COc1nc(-c2ccc(P)cc2)cs1
InChIInChI=1S/C18H20N3OPS/c1-12-4-3-5-17(21(2)19)15(12)10-22-18-20-16(11-24-18)13-6-8-14(23)9-7-13/h3-9,11H,10,19,23H2,1-2H3
InChIKeyBRMRJIDYGDKUEG-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.51
Rot. Bonds5

About 1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine

1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine (PubChem CID 129262978) has the molecular formula C18H20N3OPS and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine
PubChem CID129262978
Molecular FormulaC18H20N3OPS
Molecular Weight357.42 g/mol
Exact Mass357.11
IUPAC Name1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine
SMILESCc1cccc(N(C)N)c1COc1nc(-c2ccc(P)cc2)cs1
InChIInChI=1S/C18H20N3OPS/c1-12-4-3-5-17(21(2)19)15(12)10-22-18-20-16(11-24-18)13-6-8-14(23)9-7-13/h3-9,11H,10,19,23H2,1-2H3
InChIKeyBRMRJIDYGDKUEG-UHFFFAOYSA-N
XLogP3.51
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine?
The IUPAC name of 1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine (CID 129262978) is 1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine?
The canonical SMILES for 1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine is Cc1cccc(N(C)N)c1COc1nc(-c2ccc(P)cc2)cs1.
What is the InChIKey of 1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine?
The InChIKey is BRMRJIDYGDKUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N3OPS/c1-12-4-3-5-17(21(2)19)15(12)10-22-18-20-16(11-24-18)13-6-8-14(23)9-7-13/h3-9,11H,10,19,23H2,1-2H3.
What are the key properties of 1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine?
1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine has a molecular weight of 357.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-methyl-2-[[4-(4-phosphanylphenyl)-1,3-thiazol-2-yl]oxymethyl]phenyl]hydrazine is sourced from PubChem (CID 129262978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).