2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide

C11H19N5S — CID 82515427

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(CN2CCN(CC)CC2)n1
InChIInChI=1S/C11H19N5S/c1-2-15-3-5-16(6-4-15)7-10-14-9(8-17-10)11(12)13/h8H,2-7H2,1H3,(H3,12,13)
InChIKeyUTCLRDBMEOEISI-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.56
Rot. Bonds4

About 2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide

2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide (PubChem CID 82515427) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide
PubChem CID82515427
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(CN2CCN(CC)CC2)n1
InChIInChI=1S/C11H19N5S/c1-2-15-3-5-16(6-4-15)7-10-14-9(8-17-10)11(12)13/h8H,2-7H2,1H3,(H3,12,13)
InChIKeyUTCLRDBMEOEISI-UHFFFAOYSA-N
XLogP0.56
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide (CID 82515427) is 2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide is [H]/N=C(\N)c1csc(CN2CCN(CC)CC2)n1.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide?
The InChIKey is UTCLRDBMEOEISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-2-15-3-5-16(6-4-15)7-10-14-9(8-17-10)11(12)13/h8H,2-7H2,1H3,(H3,12,13).
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide?
2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide has a molecular weight of 253.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 82515427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).