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

C15H27IN4S — CID 110955839

IUPACN-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1nc(CC)c(C)s1)N1CCCC1.I
InChIInChI=1S/C15H26N4S.HI/c1-4-13-12(3)20-14(18-13)8-9-17-15(16-5-2)19-10-6-7-11-19;/h4-11H2,1-3H3,(H,16,17);1H
InChIKeyNIGZFERIFUPOEZ-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.24
Rot. Bonds5

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

N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 110955839) has the molecular formula C15H27IN4S and a molecular weight of 422.38 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID110955839
Molecular FormulaC15H27IN4S
Molecular Weight422.38 g/mol
Exact Mass422.10
IUPAC NameN-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1nc(CC)c(C)s1)N1CCCC1.I
InChIInChI=1S/C15H26N4S.HI/c1-4-13-12(3)20-14(18-13)8-9-17-15(16-5-2)19-10-6-7-11-19;/h4-11H2,1-3H3,(H,16,17);1H
InChIKeyNIGZFERIFUPOEZ-UHFFFAOYSA-N
XLogP3.24
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.24
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

N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728745
N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111758697
1-tert-butyl-3-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 110965609
N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956251
1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111915652
N-ethyl-N'-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111826119
4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide
CID 111493554
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111493048
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111925448
N,N-diethyl-2-[[N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009762
N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(2-methylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111516146
1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 110955839) is N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1nc(CC)c(C)s1)N1CCCC1.I.
What is the InChIKey of N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is NIGZFERIFUPOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S.HI/c1-4-13-12(3)20-14(18-13)8-9-17-15(16-5-2)19-10-6-7-11-19;/h4-11H2,1-3H3,(H,16,17);1H.
What are the key properties of N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 422.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110955839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).