2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide

C14H17N3O2S — CID 82422835

IUPAC2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCC(C)c1ccc(OCc2ncc(C(=O)NN)s2)cc1
InChIInChI=1S/C14H17N3O2S/c1-9(2)10-3-5-11(6-4-10)19-8-13-16-7-12(20-13)14(18)17-15/h3-7,9H,8,15H2,1-2H3,(H,17,18)
InChIKeyMRHDEDXIAUCWNR-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.45
Rot. Bonds5

About 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide

2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 82422835) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
PubChem CID82422835
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCC(C)c1ccc(OCc2ncc(C(=O)NN)s2)cc1
InChIInChI=1S/C14H17N3O2S/c1-9(2)10-3-5-11(6-4-10)19-8-13-16-7-12(20-13)14(18)17-15/h3-7,9H,8,15H2,1-2H3,(H,17,18)
InChIKeyMRHDEDXIAUCWNR-UHFFFAOYSA-N
XLogP2.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423832
2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423883
2-[(2-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422860
2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422937
2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82422823
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
CID 82423825
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
4-methyl-2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 4980780
2-[(4-fluorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
CID 82434266
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide (CID 82422835) is 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide is CC(C)c1ccc(OCc2ncc(C(=O)NN)s2)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is MRHDEDXIAUCWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(2)10-3-5-11(6-4-10)19-8-13-16-7-12(20-13)14(18)17-15/h3-7,9H,8,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide?
2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 291.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82422835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).