N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide

C15H17N3O3S — CID 78823301

IUPACN'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
SMILESCC(C)C(=O)NNC(=O)c1ccccc1OCc1cscn1
InChIInChI=1S/C15H17N3O3S/c1-10(2)14(19)17-18-15(20)12-5-3-4-6-13(12)21-7-11-8-22-9-16-11/h3-6,8-10H,7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZLSVMDVMXQTYFZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.14
Rot. Bonds5

About N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide

N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide (PubChem CID 78823301) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
PubChem CID78823301
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
SMILESCC(C)C(=O)NNC(=O)c1ccccc1OCc1cscn1
InChIInChI=1S/C15H17N3O3S/c1-10(2)14(19)17-18-15(20)12-5-3-4-6-13(12)21-7-11-8-22-9-16-11/h3-6,8-10H,7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZLSVMDVMXQTYFZ-UHFFFAOYSA-N
XLogP2.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.14
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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Related Compounds

N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006475
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86981514
N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86911822
N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86979350
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907852
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86853124
N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78872865
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
2-methyl-N-[[2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63058001
N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55536973

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide?
The IUPAC name of N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide (CID 78823301) is N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide.
What is the SMILES notation for N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide?
The canonical SMILES for N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide is CC(C)C(=O)NNC(=O)c1ccccc1OCc1cscn1.
What is the InChIKey of N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide?
The InChIKey is ZLSVMDVMXQTYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10(2)14(19)17-18-15(20)12-5-3-4-6-13(12)21-7-11-8-22-9-16-11/h3-6,8-10H,7H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide?
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide has a molecular weight of 319.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide is sourced from PubChem (CID 78823301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).