N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide

C15H18N4O3S — CID 9088832

IUPACN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)c2snnc2C)c1C
InChIInChI=1S/C15H18N4O3S/c1-8-6-5-7-12(9(8)2)22-11(4)14(20)17-18-15(21)13-10(3)16-19-23-13/h5-7,11H,1-4H3,(H,17,20)(H,18,21)/t11-/m1/s1
InChIKeyDCVSKPPERLJJRO-LLVKDONJSA-N
MW334.40 g/mol
LogP1.69
Rot. Bonds4

About N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide (PubChem CID 9088832) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide
PubChem CID9088832
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide
SMILESCc1cccc(O[C@H](C)C(=O)NNC(=O)c2snnc2C)c1C
InChIInChI=1S/C15H18N4O3S/c1-8-6-5-7-12(9(8)2)22-11(4)14(20)17-18-15(21)13-10(3)16-19-23-13/h5-7,11H,1-4H3,(H,17,20)(H,18,21)/t11-/m1/s1
InChIKeyDCVSKPPERLJJRO-LLVKDONJSA-N
XLogP1.69
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.69
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-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589345
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
CID 8640532
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027
4,5-dibromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 24634651
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
4-cyano-N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 8880270
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-phenylmethoxypropanehydrazide
CID 55650544

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide (CID 9088832) is N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide is Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2snnc2C)c1C.
What is the InChIKey of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is DCVSKPPERLJJRO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-8-6-5-7-12(9(8)2)22-11(4)14(20)17-18-15(21)13-10(3)16-19-23-13/h5-7,11H,1-4H3,(H,17,20)(H,18,21)/t11-/m1/s1.
What are the key properties of N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide?
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 334.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 9088832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).