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

C14H19IN4OS — CID 119117821

IUPAC1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1coc(-c2cccs2)n1)NC1CCCC1
InChIInChI=1S/C14H18N4OS.HI/c15-14(18-10-4-1-2-5-10)16-8-11-9-19-13(17-11)12-6-3-7-20-12;/h3,6-7,9-10H,1-2,4-5,8H2,(H3,15,16,18);1H
InChIKeyTVSNGJRPISRBAW-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.37
Rot. Bonds4

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

1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide (PubChem CID 119117821) has the molecular formula C14H19IN4OS and a molecular weight of 418.30 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
PubChem CID119117821
Molecular FormulaC14H19IN4OS
Molecular Weight418.30 g/mol
Exact Mass418.03
IUPAC Name1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1coc(-c2cccs2)n1)NC1CCCC1
InChIInChI=1S/C14H18N4OS.HI/c15-14(18-10-4-1-2-5-10)16-8-11-9-19-13(17-11)12-6-3-7-20-12;/h3,6-7,9-10H,1-2,4-5,8H2,(H3,15,16,18);1H
InChIKeyTVSNGJRPISRBAW-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'}

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Related Compounds

1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
CID 119164271
2-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661143
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 110985882
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111141201
1-ethyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914036
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111393108
4-(4-fluorophenyl)-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1-carboximidamide
CID 111038418
1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 42930050
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111918537
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111532878
1-(3-ethoxypropyl)-3-ethyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111224544
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111597968

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide (CID 119117821) is 1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide is I.N/C(=N\Cc1coc(-c2cccs2)n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is TVSNGJRPISRBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.HI/c15-14(18-10-4-1-2-5-10)16-8-11-9-19-13(17-11)12-6-3-7-20-12;/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-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide?
1-cyclopentyl-2-[(2-thiophen-2-yl-1,3-oxazol-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-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119117821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).