4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide

C12H21N5OS — CID 82430612

IUPAC4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCCc1nc(CN2CCN(C)CC2)sc1C(=O)NN
InChIInChI=1S/C12H21N5OS/c1-3-9-11(12(18)15-13)19-10(14-9)8-17-6-4-16(2)5-7-17/h3-8,13H2,1-2H3,(H,15,18)
InChIKeySNSYQBJFIFLECY-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.06
Rot. Bonds4

About 4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide

4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 82430612) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide
PubChem CID82430612
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCCc1nc(CN2CCN(C)CC2)sc1C(=O)NN
InChIInChI=1S/C12H21N5OS/c1-3-9-11(12(18)15-13)19-10(14-9)8-17-6-4-16(2)5-7-17/h3-8,13H2,1-2H3,(H,15,18)
InChIKeySNSYQBJFIFLECY-UHFFFAOYSA-N
XLogP0.06
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.06
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide (CID 82430612) is 4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide is CCc1nc(CN2CCN(C)CC2)sc1C(=O)NN.
What is the InChIKey of 4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is SNSYQBJFIFLECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-9-11(12(18)15-13)19-10(14-9)8-17-6-4-16(2)5-7-17/h3-8,13H2,1-2H3,(H,15,18).
What are the key properties of 4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide?
4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 283.40 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82430612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).