N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide

C18H17N3O3S2 — CID 26760635

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2csc(-c3cccs3)n2)c1
InChIInChI=1S/C18H17N3O3S2/c1-11-5-6-12(2)14(8-11)24-9-16(22)20-21-17(23)13-10-26-18(19-13)15-4-3-7-25-15/h3-8,10H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUHOKQFKYMZVJPB-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.33
Rot. Bonds5

About N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 26760635) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
PubChem CID26760635
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2csc(-c3cccs3)n2)c1
InChIInChI=1S/C18H17N3O3S2/c1-11-5-6-12(2)14(8-11)24-9-16(22)20-21-17(23)13-10-26-18(19-13)15-4-3-7-25-15/h3-8,10H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUHOKQFKYMZVJPB-UHFFFAOYSA-N
XLogP3.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 55439956
N'-[2-(2-cyanophenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 24514672
N'-[2-(2,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 38009598
2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
CID 26738509
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 36843860
(2,4-dimethylphenyl) 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 34055279
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 27568985

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide (CID 26760635) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2csc(-c3cccs3)n2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is UHOKQFKYMZVJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-11-5-6-12(2)14(8-11)24-9-16(22)20-21-17(23)13-10-26-18(19-13)15-4-3-7-25-15/h3-8,10H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 387.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 26760635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).