4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide

C14H18N4O2S — CID 63585678

IUPAC4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCOc1ccccc1CN(C)Cc1csc(C(=O)NN)n1
InChIInChI=1S/C14H18N4O2S/c1-18(7-10-5-3-4-6-12(10)20-2)8-11-9-21-14(16-11)13(19)17-15/h3-6,9H,7-8,15H2,1-2H3,(H,17,19)
InChIKeyXNJSUFWGBZVDKQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.39
Rot. Bonds6

About 4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide

4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63585678) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63585678
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCOc1ccccc1CN(C)Cc1csc(C(=O)NN)n1
InChIInChI=1S/C14H18N4O2S/c1-18(7-10-5-3-4-6-12(10)20-2)8-11-9-21-14(16-11)13(19)17-15/h3-6,9H,7-8,15H2,1-2H3,(H,17,19)
InChIKeyXNJSUFWGBZVDKQ-UHFFFAOYSA-N
XLogP1.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.39
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

4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63577145
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63568512
N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 63585550
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212863
2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 63585474
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
N-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboxamide
CID 134542864
N-(4-fluorophenyl)-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 30705127
3-[2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486763
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423885
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide (CID 63585678) is 4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide is COc1ccccc1CN(C)Cc1csc(C(=O)NN)n1.
What is the InChIKey of 4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is XNJSUFWGBZVDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18(7-10-5-3-4-6-12(10)20-2)8-11-9-21-14(16-11)13(19)17-15/h3-6,9H,7-8,15H2,1-2H3,(H,17,19).
What are the key properties of 4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 306.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63585678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).