N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C18H31N5OS — CID 111601046

IUPACN'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCCOC(CC/N=C(\N)N1CCN(c2nccs2)CC1)C1CCCC1
InChIInChI=1S/C18H31N5OS/c1-2-24-16(15-5-3-4-6-15)7-8-20-17(19)22-10-12-23(13-11-22)18-21-9-14-25-18/h9,14-16H,2-8,10-13H2,1H3,(H2,19,20)
InChIKeyLYSNFDNKCSCURQ-UHFFFAOYSA-N
MW365.55 g/mol
LogP2.57
Rot. Bonds7

About N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111601046) has the molecular formula C18H31N5OS and a molecular weight of 365.55 g/mol. Its IUPAC name is N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111601046
Molecular FormulaC18H31N5OS
Molecular Weight365.55 g/mol
Exact Mass365.22
IUPAC NameN'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCCOC(CC/N=C(\N)N1CCN(c2nccs2)CC1)C1CCCC1
InChIInChI=1S/C18H31N5OS/c1-2-24-16(15-5-3-4-6-15)7-8-20-17(19)22-10-12-23(13-11-22)18-21-9-14-25-18/h9,14-16H,2-8,10-13H2,1H3,(H2,19,20)
InChIKeyLYSNFDNKCSCURQ-UHFFFAOYSA-N
XLogP2.57
TPSA66.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 52.57
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'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111026160
N'-(3-cyclopentyl-3-ethoxypropyl)thiomorpholine-4-carboximidamide
CID 111601054
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111813196
N'-(2-butoxyethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111075048
N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803536
N'-(4-methylsulfanylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111816554
N'-[2-(4-methylpiperidin-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111056721
N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111084304
N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111822090
N'-(2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111036881

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111601046) is N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is CCOC(CC/N=C(\N)N1CCN(c2nccs2)CC1)C1CCCC1.
What is the InChIKey of N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is LYSNFDNKCSCURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5OS/c1-2-24-16(15-5-3-4-6-15)7-8-20-17(19)22-10-12-23(13-11-22)18-21-9-14-25-18/h9,14-16H,2-8,10-13H2,1H3,(H2,19,20).
What are the key properties of N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 365.55 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111601046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).