1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide

C14H22BrIN4S — CID 119150222

IUPAC1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1csc(Br)c1)NC1CCN(C2CC2)C1.I
InChIInChI=1S/C14H21BrN4S.HI/c1-16-14(17-7-10-6-13(15)20-9-10)18-11-4-5-19(8-11)12-2-3-12;/h6,9,11-12H,2-5,7-8H2,1H3,(H2,16,17,18);1H
InChIKeyQPZIZFXGAMMWRV-UHFFFAOYSA-N
MW485.23 g/mol
LogP3.03
Rot. Bonds4

About 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide

1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide (PubChem CID 119150222) has the molecular formula C14H22BrIN4S and a molecular weight of 485.23 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
PubChem CID119150222
Molecular FormulaC14H22BrIN4S
Molecular Weight485.23 g/mol
Exact Mass483.98
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1csc(Br)c1)NC1CCN(C2CC2)C1.I
InChIInChI=1S/C14H21BrN4S.HI/c1-16-14(17-7-10-6-13(15)20-9-10)18-11-4-5-19(8-11)12-2-3-12;/h6,9,11-12H,2-5,7-8H2,1H3,(H2,16,17,18);1H
InChIKeyQPZIZFXGAMMWRV-UHFFFAOYSA-N
XLogP3.03
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.23
LogP ≤ 53.03
H-Bond Donors ≤ 52
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'}

Analyze 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918819
1-(1,3-benzodioxol-5-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111918610
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119150712
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119150165
1-(1,3-benzodioxol-5-ylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918611
4-[[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111920075
1-(1-cyclopropylpyrrolidin-3-yl)-3-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-methylguanidine
CID 119157022
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111920061
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(2-ethoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111920144
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111994782
1-[(4-bromophenyl)methyl]-3-(1-cyclohexylpiperidin-4-yl)-2-methylguanidine
CID 111978526
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111918682

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide (CID 119150222) is 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide is C/N=C(\NCc1csc(Br)c1)NC1CCN(C2CC2)C1.I.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide?
The InChIKey is QPZIZFXGAMMWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4S.HI/c1-16-14(17-7-10-6-13(15)20-9-10)18-11-4-5-19(8-11)12-2-3-12;/h6,9,11-12H,2-5,7-8H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide?
1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide has a molecular weight of 485.23 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119150222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).