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

C14H17N3O2S — CID 82423897

IUPAC2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1cccc(OCCc2ncc(C(=O)NN)s2)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-4-3-5-11(10(9)2)19-7-6-13-16-8-12(20-13)14(18)17-15/h3-5,8H,6-7,15H2,1-2H3,(H,17,18)
InChIKeyGAAIDSFKSAQIMR-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.98
Rot. Bonds5

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

2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 82423897) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
PubChem CID82423897
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1cccc(OCCc2ncc(C(=O)NN)s2)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-4-3-5-11(10(9)2)19-7-6-13-16-8-12(20-13)14(18)17-15/h3-5,8H,6-7,15H2,1-2H3,(H,17,18)
InChIKeyGAAIDSFKSAQIMR-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82424014
2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191076
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423832
2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422937
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
CID 151897080
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
methyl 4-(2,3-dimethylphenoxy)butanoate
CID 43378041
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
2-[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82423770
3-(2,3-dimethylphenoxy)propanethioamide
CID 7745565

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide (CID 82423897) is 2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide is Cc1cccc(OCCc2ncc(C(=O)NN)s2)c1C.
What is the InChIKey of 2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is GAAIDSFKSAQIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-4-3-5-11(10(9)2)19-7-6-13-16-8-12(20-13)14(18)17-15/h3-5,8H,6-7,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide?
2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 291.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82423897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).