4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide

C11H17N3O2S — CID 63588142

IUPAC4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COC2CCCCC2)cs1
InChIInChI=1S/C11H17N3O2S/c12-14-10(15)11-13-8(7-17-11)6-16-9-4-2-1-3-5-9/h7,9H,1-6,12H2,(H,14,15)
InChIKeyUYWFZPJYXHDMON-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.60
Rot. Bonds4

About 4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide

4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63588142) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63588142
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COC2CCCCC2)cs1
InChIInChI=1S/C11H17N3O2S/c12-14-10(15)11-13-8(7-17-11)6-16-9-4-2-1-3-5-9/h7,9H,1-6,12H2,(H,14,15)
InChIKeyUYWFZPJYXHDMON-UHFFFAOYSA-N
XLogP1.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.60
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

4-(oxan-4-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63571274
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 82701792
4-[(4,4-dimethylcyclohexyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
CID 114340364
4-[(3-methylcyclohexyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
CID 43664304
4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573484
4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63570853
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63570034
4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583136
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
N-[[4-(cycloheptyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459671
4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63569329

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide (CID 63588142) is 4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(COC2CCCCC2)cs1.
What is the InChIKey of 4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is UYWFZPJYXHDMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-14-10(15)11-13-8(7-17-11)6-16-9-4-2-1-3-5-9/h7,9H,1-6,12H2,(H,14,15).
What are the key properties of 4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide?
4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 255.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63588142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).