2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C11H18N4O2S — CID 126422555

IUPAC2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)NN)sc1C(=O)NCC(C)C
InChIInChI=1S/C11H18N4O2S/c1-6(2)5-13-11(17)10-7(3)14-9(18-10)4-8(16)15-12/h6H,4-5,12H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyKFKHOGCMKSJERY-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.37
Rot. Bonds5

About 2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 126422555) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID126422555
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(=O)NN)sc1C(=O)NCC(C)C
InChIInChI=1S/C11H18N4O2S/c1-6(2)5-13-11(17)10-7(3)14-9(18-10)4-8(16)15-12/h6H,4-5,12H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyKFKHOGCMKSJERY-UHFFFAOYSA-N
XLogP0.37
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-anilino-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169008
2-[2-(3,5-difluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169023
2-(2-hydrazinyl-2-oxoethyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122172016
2-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 53169012
2-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 75429423
2-(cyclopropylamino)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 45494389
N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103771231
4-methyl-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154423
2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120826574
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389441
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 16944803
2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 110465467

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 126422555) is 2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(=O)NN)sc1C(=O)NCC(C)C.
What is the InChIKey of 2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KFKHOGCMKSJERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-6(2)5-13-11(17)10-7(3)14-9(18-10)4-8(16)15-12/h6H,4-5,12H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinyl-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126422555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).