4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide

C18H28N6OS — CID 110057948

IUPAC4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\NCCc1ccco1)N1CCN(c2nc(CC)ns2)CC1
InChIInChI=1S/C18H28N6OS/c1-3-8-19-17(20-9-7-15-6-5-14-25-15)23-10-12-24(13-11-23)18-21-16(4-2)22-26-18/h5-6,14H,3-4,7-13H2,1-2H3,(H,19,20)
InChIKeyMNJFMHPWFAQOAR-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.41
Rot. Bonds7

About 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide

4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide (PubChem CID 110057948) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide
PubChem CID110057948
Molecular FormulaC18H28N6OS
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\NCCc1ccco1)N1CCN(c2nc(CC)ns2)CC1
InChIInChI=1S/C18H28N6OS/c1-3-8-19-17(20-9-7-15-6-5-14-25-15)23-10-12-24(13-11-23)18-21-16(4-2)22-26-18/h5-6,14H,3-4,7-13H2,1-2H3,(H,19,20)
InChIKeyMNJFMHPWFAQOAR-UHFFFAOYSA-N
XLogP2.41
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.41
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)ethyl]-4-phenyl-N'-propylpiperazine-1-carboximidamide
CID 111493410
N-[2-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110053443
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-propylpiperazine-1-carboximidamide
CID 110053292
N-[2-(furan-2-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110057765
N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111541433
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 110057565
N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 110053396
N'-butyl-N-[2-(furan-2-yl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboximidamide
CID 111367585
N-[2-(furan-2-yl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205223
N'-[2-(furan-2-yl)ethyl]-N-(2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111541116
N-[2-(furan-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)-N'-propylpyrrolidine-1-carboximidamide
CID 110056132
N'-(3-ethoxypropyl)-4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111166558

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide?
The IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide (CID 110057948) is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide is CCC/N=C(\NCCc1ccco1)N1CCN(c2nc(CC)ns2)CC1.
What is the InChIKey of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide?
The InChIKey is MNJFMHPWFAQOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6OS/c1-3-8-19-17(20-9-7-15-6-5-14-25-15)23-10-12-24(13-11-23)18-21-16(4-2)22-26-18/h5-6,14H,3-4,7-13H2,1-2H3,(H,19,20).
What are the key properties of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide?
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide has a molecular weight of 376.53 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[2-(furan-2-yl)ethyl]-N'-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 110057948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).