N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide

C17H19ClN2S — CID 70141265

IUPACN'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(C2CCCC2)c(CCl)c1)c1cccs1
InChIInChI=1S/C17H19ClN2S/c18-11-13-10-14(20-17(19)16-6-3-9-21-16)7-8-15(13)12-4-1-2-5-12/h3,6-10,12H,1-2,4-5,11H2,(H2,19,20)
InChIKeyUTSKLYVSBLGHLU-UHFFFAOYSA-N
MW318.87 g/mol
LogP5.18
Rot. Bonds4

About N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide

N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide (PubChem CID 70141265) has the molecular formula C17H19ClN2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide
PubChem CID70141265
Molecular FormulaC17H19ClN2S
Molecular Weight318.87 g/mol
Exact Mass318.10
IUPAC NameN'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(C2CCCC2)c(CCl)c1)c1cccs1
InChIInChI=1S/C17H19ClN2S/c18-11-13-10-14(20-17(19)16-6-3-9-21-16)7-8-15(13)12-4-1-2-5-12/h3,6-10,12H,1-2,4-5,11H2,(H2,19,20)
InChIKeyUTSKLYVSBLGHLU-UHFFFAOYSA-N
XLogP5.18
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.87
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide 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

N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride
CID 70131323
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[4-cyclopentyloxy-3-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70131489
N'-(2-amino-2,3-dihydro-1H-inden-5-yl)thiophene-2-carboximidamide
CID 15871446
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 159028072
N'-[3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-4-methylsulfanylphenyl]thiophene-2-carboximidamide
CID 70165696
N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)thiophene-2-carboximidamide
CID 67644716
N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)thiophene-2-carboximidamide;dihydrochloride
CID 67644715
N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 15951336
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N'-[2-[(2-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-yl]thiophene-2-carboximidamide;dihydrobromide
CID 23298413

Frequently Asked Questions

What is the IUPAC name of N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide (CID 70141265) is N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(C2CCCC2)c(CCl)c1)c1cccs1.
What is the InChIKey of N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide?
The InChIKey is UTSKLYVSBLGHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2S/c18-11-13-10-14(20-17(19)16-6-3-9-21-16)7-8-15(13)12-4-1-2-5-12/h3,6-10,12H,1-2,4-5,11H2,(H2,19,20).
What are the key properties of N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide?
N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide has a molecular weight of 318.87 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 70141265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).