4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide

C9H16N4O2S — CID 63577145

IUPAC4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCOCCN(C)Cc1csc(C(=O)NN)n1
InChIInChI=1S/C9H16N4O2S/c1-13(3-4-15-2)5-7-6-16-9(11-7)8(14)12-10/h6H,3-5,10H2,1-2H3,(H,12,14)
InChIKeyHBRUCVRBUHVTGO-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.18
Rot. Bonds6

About 4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide

4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63577145) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63577145
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCOCCN(C)Cc1csc(C(=O)NN)n1
InChIInChI=1S/C9H16N4O2S/c1-13(3-4-15-2)5-7-6-16-9(11-7)8(14)12-10/h6H,3-5,10H2,1-2H3,(H,12,14)
InChIKeyHBRUCVRBUHVTGO-UHFFFAOYSA-N
XLogP-0.18
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.18
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(2-methylpropyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55214617
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212863
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585678
N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 63585550
2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 63585474
4-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103249706
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579824
4-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55227227
4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63584999
ethyl 4-[[2-aminoethyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylate
CID 62686652
4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 131747491

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 63577145) is 4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is COCCN(C)Cc1csc(C(=O)NN)n1.
What is the InChIKey of 4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is HBRUCVRBUHVTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-13(3-4-15-2)5-7-6-16-9(11-7)8(14)12-10/h6H,3-5,10H2,1-2H3,(H,12,14).
What are the key properties of 4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 244.32 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63577145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).