2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide

C12H13N3O3S — CID 1478837

IUPAC2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2nc(C(=O)NN)cs2)cc1OC
InChIInChI=1S/C12H13N3O3S/c1-17-9-4-3-7(5-10(9)18-2)12-14-8(6-19-12)11(16)15-13/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyZYUKYVOYHWOEFK-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.43
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide

2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 1478837) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID1478837
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2nc(C(=O)NN)cs2)cc1OC
InChIInChI=1S/C12H13N3O3S/c1-17-9-4-3-7(5-10(9)18-2)12-14-8(6-19-12)11(16)15-13/h3-6H,13H2,1-2H3,(H,15,16)
InChIKeyZYUKYVOYHWOEFK-UHFFFAOYSA-N
XLogP1.43
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 18157378
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]butanedioic acid
CID 155964490
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbothioamide
CID 82515938
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 166212983
N-(3-carbamoyl-4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46423829
2-(3,4-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 8561370
methyl (2R)-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 9089818
2-(3,4-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 9180409
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9090037
2-(3,4-dimethoxyphenyl)-N-(3-methylpyridazin-4-yl)-1,3-thiazole-4-carboxamide
CID 166210953
2-(3,4-dimethoxyphenyl)-N-(3-methyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166273173

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide (CID 1478837) is 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide is COc1ccc(-c2nc(C(=O)NN)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is ZYUKYVOYHWOEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-17-9-4-3-7(5-10(9)18-2)12-14-8(6-19-12)11(16)15-13/h3-6H,13H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 279.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 1478837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).