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

C12H20N4S — CID 63178898

IUPAC2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine
SMILES[H]/N=C(\N1CCN(c2nccs2)CC1)C(C)(C)C
InChIInChI=1S/C12H20N4S/c1-12(2,3)10(13)15-5-7-16(8-6-15)11-14-4-9-17-11/h4,9,13H,5-8H2,1-3H3/b13-10-
InChIKeyZWHRKQDJJHZLGW-RAXLEYEMSA-N
MW252.39 g/mol
LogP2.29
Rot. Bonds1

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

2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine (PubChem CID 63178898) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine
PubChem CID63178898
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine
SMILES[H]/N=C(\N1CCN(c2nccs2)CC1)C(C)(C)C
InChIInChI=1S/C12H20N4S/c1-12(2,3)10(13)15-5-7-16(8-6-15)11-14-4-9-17-11/h4,9,13H,5-8H2,1-3H3/b13-10-
InChIKeyZWHRKQDJJHZLGW-RAXLEYEMSA-N
XLogP2.29
TPSA43.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
2,2-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanimidamide
CID 65250704
4,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 71146511
N'-hydroxy-2,2-dimethyl-3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide
CID 76919935
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]-1,3-thiazole
CID 136573614
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-[2-(tert-butylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803442
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine?
The IUPAC name of 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine (CID 63178898) is 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine is [H]/N=C(\N1CCN(c2nccs2)CC1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine?
The InChIKey is ZWHRKQDJJHZLGW-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H20N4S/c1-12(2,3)10(13)15-5-7-16(8-6-15)11-14-4-9-17-11/h4,9,13H,5-8H2,1-3H3/b13-10-.
What are the key properties of 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine?
2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine has a molecular weight of 252.39 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-imine is sourced from PubChem (CID 63178898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).