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

C15H19N3O2S — CID 82423883

IUPAC2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
SMILESCC(C)c1cccc(OCCc2ncc(C(=O)NN)s2)c1
InChIInChI=1S/C15H19N3O2S/c1-10(2)11-4-3-5-12(8-11)20-7-6-14-17-9-13(21-14)15(19)18-16/h3-5,8-10H,6-7,16H2,1-2H3,(H,18,19)
InChIKeyQEEJKMKKCCNRQI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.49
Rot. Bonds6

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

2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 82423883) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
PubChem CID82423883
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
SMILESCC(C)c1cccc(OCCc2ncc(C(=O)NN)s2)c1
InChIInChI=1S/C15H19N3O2S/c1-10(2)11-4-3-5-12(8-11)20-7-6-14-17-9-13(21-14)15(19)18-16/h3-5,8-10H,6-7,16H2,1-2H3,(H,18,19)
InChIKeyQEEJKMKKCCNRQI-UHFFFAOYSA-N
XLogP2.49
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.49
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-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423897
2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422835
4-methyl-2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82154153
2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191168
2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82424014
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
CID 82423825
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104681
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
6-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carbohydrazide
CID 106908816
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 82516430

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide (CID 82423883) is 2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide is CC(C)c1cccc(OCCc2ncc(C(=O)NN)s2)c1.
What is the InChIKey of 2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is QEEJKMKKCCNRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)11-4-3-5-12(8-11)20-7-6-14-17-9-13(21-14)15(19)18-16/h3-5,8-10H,6-7,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 305.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82423883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).