N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide

C17H19FN2S2 — CID 90644567

IUPACN'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(F)c(CSC2CCCC2)c1)c1cccs1
InChIInChI=1S/C17H19FN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20)
InChIKeyWCCVFAXBWWJDHU-UHFFFAOYSA-N
MW334.49 g/mol
LogP5.10
Rot. Bonds5

About N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide

N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide (PubChem CID 90644567) has the molecular formula C17H19FN2S2 and a molecular weight of 334.49 g/mol. Its IUPAC name is N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide
PubChem CID90644567
Molecular FormulaC17H19FN2S2
Molecular Weight334.49 g/mol
Exact Mass334.10
IUPAC NameN'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(F)c(CSC2CCCC2)c1)c1cccs1
InChIInChI=1S/C17H19FN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20)
InChIKeyWCCVFAXBWWJDHU-UHFFFAOYSA-N
XLogP5.10
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]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,N'-Biphenyl-3,3'-Diyldithiophene-2-Carboximidamide
CID 72725794
N,N'-(Ethane-1,2-Diyldibenzene-3,1-Diyl)dithiophene-2-Carboximidamide
CID 72725795
N-[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-Carboximidamide
CID 72725800
N-[3-({ethyl[2-(3-Fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-Carboximidamide
CID 72725801
N-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide
CID 10524594
N'-[4-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260533
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N'-[4-(2-aminoethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45264499
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;dihydrobromide
CID 45264975
N'-[3-[[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]methyl]phenyl]thiophene-2-carboximidamide
CID 76325671
N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide
CID 90644565
N'-[4-chloro-3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide
CID 90644568

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide (CID 90644567) is N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(F)c(CSC2CCCC2)c1)c1cccs1.
What is the InChIKey of N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide?
The InChIKey is WCCVFAXBWWJDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20).
What are the key properties of N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide?
N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide has a molecular weight of 334.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopentylsulfanylmethyl)-4-fluorophenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 90644567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).