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

C18H19F3N2OS2 — CID 90644587

IUPACN'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(OC(F)(F)F)c(CSC2CCCC2)c1)c1cccs1
InChIInChI=1S/C18H19F3N2OS2/c19-18(20,21)24-15-8-7-13(23-17(22)16-6-3-9-25-16)10-12(15)11-26-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,22,23)
InChIKeyLRKLBIWVBTXVDV-UHFFFAOYSA-N
MW400.49 g/mol
LogP5.86
Rot. Bonds6

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

N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide (PubChem CID 90644587) has the molecular formula C18H19F3N2OS2 and a molecular weight of 400.49 g/mol. Its IUPAC name is N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide
PubChem CID90644587
Molecular FormulaC18H19F3N2OS2
Molecular Weight400.49 g/mol
Exact Mass400.09
IUPAC NameN'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(OC(F)(F)F)c(CSC2CCCC2)c1)c1cccs1
InChIInChI=1S/C18H19F3N2OS2/c19-18(20,21)24-15-8-7-13(23-17(22)16-6-3-9-25-16)10-12(15)11-26-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,22,23)
InChIKeyLRKLBIWVBTXVDV-UHFFFAOYSA-N
XLogP5.86
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]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-((Cyclopentylthio)methyl)-4-methoxyphenyl)benzimidamide
CID 86302643
N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]thiophene-2-carboximidamide
CID 90644573
N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]thiophene-3-carboximidamide
CID 90644574
N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide
CID 90644575
4-bromo-N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]thiophene-2-carboximidamide
CID 90644576
5-bromo-N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]thiophene-2-carboximidamide
CID 90644577
N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide
CID 90644585
N'-[3-(cyclopentyloxymethyl)-4-methoxyphenyl]thiophene-2-carboximidamide
CID 90644569
N'-[4-methoxy-3-(phenylsulfanylmethyl)phenyl]benzenecarboximidamide
CID 90644571
N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]propanimidamide
CID 90644580
N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N,N'-dimethylthiophene-2-carboximidamide
CID 90644586
N'-[3-[(2-fluoroethylamino)methyl]-4-methoxyphenyl]thiophene-2-carboximidamide
CID 9901181

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide (CID 90644587) is N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(OC(F)(F)F)c(CSC2CCCC2)c1)c1cccs1.
What is the InChIKey of N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide?
The InChIKey is LRKLBIWVBTXVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS2/c19-18(20,21)24-15-8-7-13(23-17(22)16-6-3-9-25-16)10-12(15)11-26-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,22,23).
What are the key properties of N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide?
N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide has a molecular weight of 400.49 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopentylsulfanylmethyl)-4-(trifluoromethoxy)phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 90644587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).