4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide

C14H17N3O2S — CID 63570309

IUPAC4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
SMILESCc1csc(-c2ccc(OCCCC(=O)NN)cc2)n1
InChIInChI=1S/C14H17N3O2S/c1-10-9-20-14(16-10)11-4-6-12(7-5-11)19-8-2-3-13(18)17-15/h4-7,9H,2-3,8,15H2,1H3,(H,17,18)
InChIKeyCOWOLMVIBVMIEZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.27
Rot. Bonds6

About 4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide

4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide (PubChem CID 63570309) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide.

Molecular Properties

Compound Name4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
PubChem CID63570309
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
SMILESCc1csc(-c2ccc(OCCCC(=O)NN)cc2)n1
InChIInChI=1S/C14H17N3O2S/c1-10-9-20-14(16-10)11-4-6-12(7-5-11)19-8-2-3-13(18)17-15/h4-7,9H,2-3,8,15H2,1H3,(H,17,18)
InChIKeyCOWOLMVIBVMIEZ-UHFFFAOYSA-N
XLogP2.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 62598247
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
2-ethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]but-2-enoic acid
CID 77101797
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
3-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570310
3-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]but-2-enoic acid
CID 77005623
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
2,2-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propanoic acid
CID 79622789
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123769

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide?
The IUPAC name of 4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide (CID 63570309) is 4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide.
What is the SMILES notation for 4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide?
The canonical SMILES for 4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide is Cc1csc(-c2ccc(OCCCC(=O)NN)cc2)n1.
What is the InChIKey of 4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide?
The InChIKey is COWOLMVIBVMIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-9-20-14(16-10)11-4-6-12(7-5-11)19-8-2-3-13(18)17-15/h4-7,9H,2-3,8,15H2,1H3,(H,17,18).
What are the key properties of 4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide?
4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide has a molecular weight of 291.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide is sourced from PubChem (CID 63570309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).