N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide

C18H23N3O3S — CID 39716291

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)Cc1csc(C(C)C)n1
InChIInChI=1S/C18H23N3O3S/c1-11(2)18-19-14(10-25-18)8-15(22)20-21-16(23)9-24-17-12(3)6-5-7-13(17)4/h5-7,10-11H,8-9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyCQWREWVZBNQCCO-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.65
Rot. Bonds6

About N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 39716291) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID39716291
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)Cc1csc(C(C)C)n1
InChIInChI=1S/C18H23N3O3S/c1-11(2)18-19-14(10-25-18)8-15(22)20-21-16(23)9-24-17-12(3)6-5-7-13(17)4/h5-7,10-11H,8-9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyCQWREWVZBNQCCO-UHFFFAOYSA-N
XLogP2.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide (CID 39716291) is N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)Cc1csc(C(C)C)n1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is CQWREWVZBNQCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-11(2)18-19-14(10-25-18)8-15(22)20-21-16(23)9-24-17-12(3)6-5-7-13(17)4/h5-7,10-11H,8-9H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 361.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 39716291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).