[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine

C11H13N3OS — CID 69115337

IUPAC[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine
SMILESCOc1ccc(-c2csc(=NN)n2C)cc1
InChIInChI=1S/C11H13N3OS/c1-14-10(7-16-11(14)13-12)8-3-5-9(15-2)6-4-8/h3-7H,12H2,1-2H3
InChIKeyNVMRVFJDJOVARA-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.54
Rot. Bonds2

About [4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine

[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine (PubChem CID 69115337) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine
PubChem CID69115337
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine
SMILESCOc1ccc(-c2csc(=NN)n2C)cc1
InChIInChI=1S/C11H13N3OS/c1-14-10(7-16-11(14)13-12)8-3-5-9(15-2)6-4-8/h3-7H,12H2,1-2H3
InChIKeyNVMRVFJDJOVARA-UHFFFAOYSA-N
XLogP1.54
TPSA52.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine?
The IUPAC name of [4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine (CID 69115337) is [4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine.
What is the SMILES notation for [4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine?
The canonical SMILES for [4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine is COc1ccc(-c2csc(=NN)n2C)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine?
The InChIKey is NVMRVFJDJOVARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-14-10(7-16-11(14)13-12)8-3-5-9(15-2)6-4-8/h3-7H,12H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine?
[4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine has a molecular weight of 235.31 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]hydrazine is sourced from PubChem (CID 69115337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).