N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C16H28N6S — CID 111803536

IUPACN'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCCN1CCCCC1C/N=C(\N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H28N6S/c1-2-20-7-4-3-5-14(20)13-19-15(17)21-8-10-22(11-9-21)16-18-6-12-23-16/h6,12,14H,2-5,7-11,13H2,1H3,(H2,17,19)
InChIKeyUZBHYEYFGPXATI-UHFFFAOYSA-N
MW336.51 g/mol
LogP1.45
Rot. Bonds4

About N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111803536) has the molecular formula C16H28N6S and a molecular weight of 336.51 g/mol. Its IUPAC name is N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111803536
Molecular FormulaC16H28N6S
Molecular Weight336.51 g/mol
Exact Mass336.21
IUPAC NameN'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCCN1CCCCC1C/N=C(\N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H28N6S/c1-2-20-7-4-3-5-14(20)13-19-15(17)21-8-10-22(11-9-21)16-18-6-12-23-16/h6,12,14H,2-5,7-11,13H2,1H3,(H2,17,19)
InChIKeyUZBHYEYFGPXATI-UHFFFAOYSA-N
XLogP1.45
TPSA60.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 51.45
H-Bond Donors ≤ 51
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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Related Compounds

N'-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026582
N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111084304
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 126787790
N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803495
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026588
N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111601046
N'-(2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111036881
N'-(3-pyrrolidin-1-ylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111034808
N'-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026007
N'-(2-butoxyethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111075048

Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111803536) is N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is CCN1CCCCC1C/N=C(\N)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is UZBHYEYFGPXATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6S/c1-2-20-7-4-3-5-14(20)13-19-15(17)21-8-10-22(11-9-21)16-18-6-12-23-16/h6,12,14H,2-5,7-11,13H2,1H3,(H2,17,19).
What are the key properties of N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 336.51 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111803536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).