N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C14H25N5OS — CID 111026160

IUPACN'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCC(C)OCCC/N=C(\N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H25N5OS/c1-12(2)20-10-3-4-16-13(15)18-6-8-19(9-7-18)14-17-5-11-21-14/h5,11-12H,3-4,6-10H2,1-2H3,(H2,15,16)
InChIKeyOXQZFKVAUAAYSD-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.39
Rot. Bonds6

About N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111026160) has the molecular formula C14H25N5OS and a molecular weight of 311.45 g/mol. Its IUPAC name is N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111026160
Molecular FormulaC14H25N5OS
Molecular Weight311.45 g/mol
Exact Mass311.18
IUPAC NameN'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCC(C)OCCC/N=C(\N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H25N5OS/c1-12(2)20-10-3-4-16-13(15)18-6-8-19(9-7-18)14-17-5-11-21-14/h5,11-12H,3-4,6-10H2,1-2H3,(H2,15,16)
InChIKeyOXQZFKVAUAAYSD-UHFFFAOYSA-N
XLogP1.39
TPSA66.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(1-phenylethoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111035771
N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111813196
N'-[3-(4-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111079475
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-[3-(2-methylphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803614
N'-(4-methylsulfanylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111816554
methyl 5-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]pentanoate
CID 111086175
N'-(2-butoxyethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111075048
N'-[4-(4-methylpiperazin-1-yl)butyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111060215
N'-(3-pyrrolidin-1-ylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111034808
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-(3-cyclopentyl-3-ethoxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111601046

Frequently Asked Questions

What is the IUPAC name of N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111026160) is N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is CC(C)OCCC/N=C(\N)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is OXQZFKVAUAAYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-12(2)20-10-3-4-16-13(15)18-6-8-19(9-7-18)14-17-5-11-21-14/h5,11-12H,3-4,6-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 311.45 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111026160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).