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

C12H20N4OS — CID 63573484

IUPAC4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCCN(Cc1csc(C(=O)NN)n1)C1CCCC1
InChIInChI=1S/C12H20N4OS/c1-2-16(10-5-3-4-6-10)7-9-8-18-12(14-9)11(17)15-13/h8,10H,2-7,13H2,1H3,(H,15,17)
InChIKeyAENKBGQCJHZYSR-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.51
Rot. Bonds5

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

4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63573484) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63573484
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCCN(Cc1csc(C(=O)NN)n1)C1CCCC1
InChIInChI=1S/C12H20N4OS/c1-2-16(10-5-3-4-6-10)7-9-8-18-12(14-9)11(17)15-13/h8,10H,2-7,13H2,1H3,(H,15,17)
InChIKeyAENKBGQCJHZYSR-UHFFFAOYSA-N
XLogP1.51
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.51
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-[[cyclohexyl(ethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664567
4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583083
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579115
N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 63585550
4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63588142
4-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55227227
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-[[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-[[butyl(cyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 61441767
N-[4-[[ethyl(piperidin-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 54923162

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 63573484) is 4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is CCN(Cc1csc(C(=O)NN)n1)C1CCCC1.
What is the InChIKey of 4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is AENKBGQCJHZYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-16(10-5-3-4-6-10)7-9-8-18-12(14-9)11(17)15-13/h8,10H,2-7,13H2,1H3,(H,15,17).
What are the key properties of 4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 268.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63573484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).