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

C12H22N4OS — CID 63579824

IUPAC4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC(C)CC(C)N(C)Cc1csc(C(=O)NN)n1
InChIInChI=1S/C12H22N4OS/c1-8(2)5-9(3)16(4)6-10-7-18-12(14-10)11(17)15-13/h7-9H,5-6,13H2,1-4H3,(H,15,17)
InChIKeyGUODFXPTAYBGFA-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.61
Rot. Bonds6

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

4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63579824) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63579824
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC(C)CC(C)N(C)Cc1csc(C(=O)NN)n1
InChIInChI=1S/C12H22N4OS/c1-8(2)5-9(3)16(4)6-10-7-18-12(14-10)11(17)15-13/h7-9H,5-6,13H2,1-4H3,(H,15,17)
InChIKeyGUODFXPTAYBGFA-UHFFFAOYSA-N
XLogP1.61
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
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

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
N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 63585550
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55214617
4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63584999
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579115
4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63568512
2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 63585474
4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573484
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585678
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212863
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 63579824) is 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide is CC(C)CC(C)N(C)Cc1csc(C(=O)NN)n1.
What is the InChIKey of 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is GUODFXPTAYBGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-8(2)5-9(3)16(4)6-10-7-18-12(14-10)11(17)15-13/h7-9H,5-6,13H2,1-4H3,(H,15,17).
What are the key properties of 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 270.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63579824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).