N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

C19H27IN4S — CID 111723198

IUPACN'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1nc(C)cs1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C19H26N4S.HI/c1-15-14-24-18(22-15)9-6-11-21-19(20-2)23-12-10-17(13-23)16-7-4-3-5-8-16;/h3-5,7-8,14,17H,6,9-13H2,1-2H3,(H,20,21);1H
InChIKeyWZULUELKNMPHPJ-UHFFFAOYSA-N
MW470.42 g/mol
LogP4.07
Rot. Bonds5

About N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111723198) has the molecular formula C19H27IN4S and a molecular weight of 470.42 g/mol. Its IUPAC name is N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111723198
Molecular FormulaC19H27IN4S
Molecular Weight470.42 g/mol
Exact Mass470.10
IUPAC NameN'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1nc(C)cs1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C19H26N4S.HI/c1-15-14-24-18(22-15)9-6-11-21-19(20-2)23-12-10-17(13-23)16-7-4-3-5-8-16;/h3-5,7-8,14,17H,6,9-13H2,1-2H3,(H,20,21);1H
InChIKeyWZULUELKNMPHPJ-UHFFFAOYSA-N
XLogP4.07
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723572
N',4-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111212148
N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111724300
N'-methyl-2-(2-methylphenyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 109479968
N'-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426744
N'-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442890
4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
CID 111960671
N'-methyl-3-phenyl-N-(4-pyrrolidin-1-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111723512
N-(3-ethoxypropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723410
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143691
N'-methyl-3-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111723011
N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111731604

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (CID 111723198) is N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCc1nc(C)cs1)N1CCC(c2ccccc2)C1.I.
What is the InChIKey of N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is WZULUELKNMPHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S.HI/c1-15-14-24-18(22-15)9-6-11-21-19(20-2)23-12-10-17(13-23)16-7-4-3-5-8-16;/h3-5,7-8,14,17H,6,9-13H2,1-2H3,(H,20,21);1H.
What are the key properties of N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 470.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111723198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).