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

C14H19N3OS — CID 79764785

IUPAC[5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCc1ccc(C(C)C)cc1OCc1cnc(NN)s1
InChIInChI=1S/C14H19N3OS/c1-9(2)11-5-4-10(3)13(6-11)18-8-12-7-16-14(17-15)19-12/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyCMJNUTIYMBGINV-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.44
Rot. Bonds5

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

[5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764785) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79764785
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCc1ccc(C(C)C)cc1OCc1cnc(NN)s1
InChIInChI=1S/C14H19N3OS/c1-9(2)11-5-4-10(3)13(6-11)18-8-12-7-16-14(17-15)19-12/h4-7,9H,8,15H2,1-3H3,(H,16,17)
InChIKeyCMJNUTIYMBGINV-UHFFFAOYSA-N
XLogP3.44
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764668
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile
CID 107660698
[5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765706
2-chloro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80607054
[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733492
[5-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764788
[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765055
[5-[(2,4-dibromophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765443
[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 107668167
[5-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764026
[5-(ethoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765698
[5-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765829

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79764785) is [5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is Cc1ccc(C(C)C)cc1OCc1cnc(NN)s1.
What is the InChIKey of [5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is CMJNUTIYMBGINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)11-5-4-10(3)13(6-11)18-8-12-7-16-14(17-15)19-12/h4-7,9H,8,15H2,1-3H3,(H,16,17).
What are the key properties of [5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 277.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).