2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide

C9H15N5S — CID 82514926

IUPAC2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H15N5S/c1-13-2-4-14(5-3-13)9-12-7(6-15-9)8(10)11/h6H,2-5H2,1H3,(H3,10,11)
InChIKeyRLPZBKKQEGZRDL-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.18
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide

2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide (PubChem CID 82514926) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide
PubChem CID82514926
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(N2CCN(C)CC2)n1
InChIInChI=1S/C9H15N5S/c1-13-2-4-14(5-3-13)9-12-7(6-15-9)8(10)11/h6H,2-5H2,1H3,(H3,10,11)
InChIKeyRLPZBKKQEGZRDL-UHFFFAOYSA-N
XLogP0.18
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.18
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-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide (CID 82514926) is 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide is [H]/N=C(\N)c1csc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide?
The InChIKey is RLPZBKKQEGZRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-13-2-4-14(5-3-13)9-12-7(6-15-9)8(10)11/h6H,2-5H2,1H3,(H3,10,11).
What are the key properties of 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide?
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide has a molecular weight of 225.32 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 82514926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).