1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide

C14H19IN4OS — CID 119164271

IUPAC1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1csc(-c2ccco2)n1)NC1CCCC1
InChIInChI=1S/C14H18N4OS.HI/c15-14(18-10-4-1-2-5-10)16-8-11-9-20-13(17-11)12-6-3-7-19-12;/h3,6-7,9-10H,1-2,4-5,8H2,(H3,15,16,18);1H
InChIKeyGQBQBQCYFLPAEN-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.37
Rot. Bonds4

About 1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide

1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide (PubChem CID 119164271) has the molecular formula C14H19IN4OS and a molecular weight of 418.30 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
PubChem CID119164271
Molecular FormulaC14H19IN4OS
Molecular Weight418.30 g/mol
Exact Mass418.03
IUPAC Name1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1csc(-c2ccco2)n1)NC1CCCC1
InChIInChI=1S/C14H18N4OS.HI/c15-14(18-10-4-1-2-5-10)16-8-11-9-20-13(17-11)12-6-3-7-19-12;/h3,6-7,9-10H,1-2,4-5,8H2,(H3,15,16,18);1H
InChIKeyGQBQBQCYFLPAEN-UHFFFAOYSA-N
XLogP3.37
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;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-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119117821
N-cyclopentyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24664133
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-methylcyclohexyl)acetamide
CID 46578282
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-cyclopropyl-2-[4-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]-2-oxoacetamide
CID 55799986
N-cyclopropyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 34324340
cis-methyl (1R,2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]cycloheptane-1-carboxylate
CID 97307342
N-(2-amino-2-oxoethoxy)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 112550759
1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096466
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164307

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide (CID 119164271) is 1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide is I.N/C(=N\Cc1csc(-c2ccco2)n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide?
The InChIKey is GQBQBQCYFLPAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.HI/c15-14(18-10-4-1-2-5-10)16-8-11-9-20-13(17-11)12-6-3-7-19-12;/h3,6-7,9-10H,1-2,4-5,8H2,(H3,15,16,18);1H.
What are the key properties of 1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide?
1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide has a molecular weight of 418.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 119164271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).