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

C10H16N4S — CID 82514950

IUPAC2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(N2CCC(C)CC2)n1
InChIInChI=1S/C10H16N4S/c1-7-2-4-14(5-3-7)10-13-8(6-15-10)9(11)12/h6-7H,2-5H2,1H3,(H3,11,12)
InChIKeyGTGPBFBGNLEEHM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.66
Rot. Bonds2

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

2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide (PubChem CID 82514950) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide
PubChem CID82514950
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(N2CCC(C)CC2)n1
InChIInChI=1S/C10H16N4S/c1-7-2-4-14(5-3-7)10-13-8(6-15-10)9(11)12/h6-7H,2-5H2,1H3,(H3,11,12)
InChIKeyGTGPBFBGNLEEHM-UHFFFAOYSA-N
XLogP1.66
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide (CID 82514950) is 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide is [H]/N=C(\N)c1csc(N2CCC(C)CC2)n1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide?
The InChIKey is GTGPBFBGNLEEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-2-4-14(5-3-7)10-13-8(6-15-10)9(11)12/h6-7H,2-5H2,1H3,(H3,11,12).
What are the key properties of 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide?
2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide has a molecular weight of 224.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 82514950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).