N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide

C14H25IN4S — CID 111758697

IUPACN'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1sc(C)nc1C)N1CCCC1.I
InChIInChI=1S/C14H24N4S.HI/c1-4-15-14(18-9-5-6-10-18)16-8-7-13-11(2)17-12(3)19-13;/h4-10H2,1-3H3,(H,15,16);1H
InChIKeyXNFJJYOILSTRFI-UHFFFAOYSA-N
MW408.35 g/mol
LogP2.98
Rot. Bonds4

About N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide

N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111758697) has the molecular formula C14H25IN4S and a molecular weight of 408.35 g/mol. Its IUPAC name is N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111758697
Molecular FormulaC14H25IN4S
Molecular Weight408.35 g/mol
Exact Mass408.08
IUPAC NameN'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1sc(C)nc1C)N1CCCC1.I
InChIInChI=1S/C14H24N4S.HI/c1-4-15-14(18-9-5-6-10-18)16-8-7-13-11(2)17-12(3)19-13;/h4-10H2,1-3H3,(H,15,16);1H
InChIKeyXNFJJYOILSTRFI-UHFFFAOYSA-N
XLogP2.98
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119158866
N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955839
N-ethyl-N'-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111826119
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111765582
N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956251
N'-[2-(4-chlorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955953
N'-[2-(1H-benzimidazol-2-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956007
1-(1-benzylpiperidin-4-yl)-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylguanidine
CID 111759389
N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110955638
N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide
CID 110956662
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
N-[4-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 110955547

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide (CID 111758697) is N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1sc(C)nc1C)N1CCCC1.I.
What is the InChIKey of N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is XNFJJYOILSTRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S.HI/c1-4-15-14(18-9-5-6-10-18)16-8-7-13-11(2)17-12(3)19-13;/h4-10H2,1-3H3,(H,15,16);1H.
What are the key properties of N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 408.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111758697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).