N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C18H26N6OS — CID 111028674

IUPACN'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESN/C(=N\CC(c1ccco1)N1CCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H26N6OS/c19-17(23-8-10-24(11-9-23)18-20-5-13-26-18)21-14-15(16-4-3-12-25-16)22-6-1-2-7-22/h3-5,12-13,15H,1-2,6-11,14H2,(H2,19,21)
InChIKeyQRBKDVCCINSHNZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.01
Rot. Bonds5

About N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111028674) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111028674
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC NameN'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESN/C(=N\CC(c1ccco1)N1CCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H26N6OS/c19-17(23-8-10-24(11-9-23)18-20-5-13-26-18)21-14-15(16-4-3-12-25-16)22-6-1-2-7-22/h3-5,12-13,15H,1-2,6-11,14H2,(H2,19,21)
InChIKeyQRBKDVCCINSHNZ-UHFFFAOYSA-N
XLogP2.01
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117305
N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117242
N'-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111085992
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111027061
N'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111060890
N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111722032
N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111027825
N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
CID 111042852
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-[2-(4-methylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111090444
N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111041259
N'-[[3-(azepan-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111087198

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111028674) is N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is N/C(=N\CC(c1ccco1)N1CCCC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is QRBKDVCCINSHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c19-17(23-8-10-24(11-9-23)18-20-5-13-26-18)21-14-15(16-4-3-12-25-16)22-6-1-2-7-22/h3-5,12-13,15H,1-2,6-11,14H2,(H2,19,21).
What are the key properties of N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 374.51 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111028674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).