[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine

C13H17N3S — CID 116887760

IUPAC[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine
SMILESCc1nc(-c2ccc(C(C)C)cc2)sc1NN
InChIInChI=1S/C13H17N3S/c1-8(2)10-4-6-11(7-5-10)13-15-9(3)12(16-14)17-13/h4-8,16H,14H2,1-3H3
InChIKeyOFLACQQZFWVHLK-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.53
Rot. Bonds3

About [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine

[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine (PubChem CID 116887760) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine
PubChem CID116887760
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine
SMILESCc1nc(-c2ccc(C(C)C)cc2)sc1NN
InChIInChI=1S/C13H17N3S/c1-8(2)10-4-6-11(7-5-10)13-15-9(3)12(16-14)17-13/h4-8,16H,14H2,1-3H3
InChIKeyOFLACQQZFWVHLK-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine?
The IUPAC name of [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine (CID 116887760) is [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine.
What is the SMILES notation for [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine?
The canonical SMILES for [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine is Cc1nc(-c2ccc(C(C)C)cc2)sc1NN.
What is the InChIKey of [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine?
The InChIKey is OFLACQQZFWVHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8(2)10-4-6-11(7-5-10)13-15-9(3)12(16-14)17-13/h4-8,16H,14H2,1-3H3.
What are the key properties of [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine?
[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine has a molecular weight of 247.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine is sourced from PubChem (CID 116887760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).