2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide

C13H23N5S — CID 65250704

IUPAC2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCN(c2nccs2)CC1
InChIInChI=1S/C13H23N5S/c1-13(2,11(14)15)3-5-17-6-8-18(9-7-17)12-16-4-10-19-12/h4,10H,3,5-9H2,1-2H3,(H3,14,15)
InChIKeyWUDWTGGXKFLAAE-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.62
Rot. Bonds5

About 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide

2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide (PubChem CID 65250704) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide
PubChem CID65250704
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCN(c2nccs2)CC1
InChIInChI=1S/C13H23N5S/c1-13(2,11(14)15)3-5-17-6-8-18(9-7-17)12-16-4-10-19-12/h4,10H,3,5-9H2,1-2H3,(H3,14,15)
InChIKeyWUDWTGGXKFLAAE-UHFFFAOYSA-N
XLogP1.62
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.62
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'}

Analyze 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine
CID 63178898
2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
CID 62573951
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide
CID 63568871
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide
CID 62895733
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine
CID 62263594
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-[4-(4-methylpiperazin-1-yl)butyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111060215

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide?
The IUPAC name of 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide (CID 65250704) is 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCN(c2nccs2)CC1.
What is the InChIKey of 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide?
The InChIKey is WUDWTGGXKFLAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-13(2,11(14)15)3-5-17-6-8-18(9-7-17)12-16-4-10-19-12/h4,10H,3,5-9H2,1-2H3,(H3,14,15).
What are the key properties of 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide?
2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide has a molecular weight of 281.43 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 65250704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).