N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide

C12H21N5O2S — CID 63585550

IUPACN,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)Cc1csc(C(=O)NN)n1
InChIInChI=1S/C12H21N5O2S/c1-4-17(5-2)10(18)7-16(3)6-9-8-20-12(14-9)11(19)15-13/h8H,4-7,13H2,1-3H3,(H,15,19)
InChIKeySTPWIZYBUQXDKF-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.05
Rot. Bonds7

About N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide

N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide (PubChem CID 63585550) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
PubChem CID63585550
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)Cc1csc(C(=O)NN)n1
InChIInChI=1S/C12H21N5O2S/c1-4-17(5-2)10(18)7-16(3)6-9-8-20-12(14-9)11(19)15-13/h8H,4-7,13H2,1-3H3,(H,15,19)
InChIKeySTPWIZYBUQXDKF-UHFFFAOYSA-N
XLogP0.05
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.05
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-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 63585474
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63577145
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579824
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212863
4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573484
4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide
CID 63584494
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585678
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
N,N-diethyl-2-[methyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]acetamide
CID 79242946

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide (CID 63585550) is N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide is CCN(CC)C(=O)CN(C)Cc1csc(C(=O)NN)n1.
What is the InChIKey of N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
The InChIKey is STPWIZYBUQXDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-4-17(5-2)10(18)7-16(3)6-9-8-20-12(14-9)11(19)15-13/h8H,4-7,13H2,1-3H3,(H,15,19).
What are the key properties of N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide?
N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 63585550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).