N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide

C19H24N2OS2 — CID 90644575

IUPACN'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide
SMILESCOc1ccc(/N=C(\N)c2cc(C)cs2)cc1CSC1CCCC1
InChIInChI=1S/C19H24N2OS2/c1-13-9-18(24-11-13)19(20)21-15-7-8-17(22-2)14(10-15)12-23-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H2,20,21)
InChIKeyZLYCMIZLMFOWPA-UHFFFAOYSA-N
MW360.55 g/mol
LogP5.28
Rot. Bonds6

About N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide

N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide (PubChem CID 90644575) has the molecular formula C19H24N2OS2 and a molecular weight of 360.55 g/mol. Its IUPAC name is N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide
PubChem CID90644575
Molecular FormulaC19H24N2OS2
Molecular Weight360.55 g/mol
Exact Mass360.13
IUPAC NameN'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide
SMILESCOc1ccc(/N=C(\N)c2cc(C)cs2)cc1CSC1CCCC1
InChIInChI=1S/C19H24N2OS2/c1-13-9-18(24-11-13)19(20)21-15-7-8-17(22-2)14(10-15)12-23-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H2,20,21)
InChIKeyZLYCMIZLMFOWPA-UHFFFAOYSA-N
XLogP5.28
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 55.28
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide?
The IUPAC name of N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide (CID 90644575) is N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide is COc1ccc(/N=C(\N)c2cc(C)cs2)cc1CSC1CCCC1.
What is the InChIKey of N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide?
The InChIKey is ZLYCMIZLMFOWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS2/c1-13-9-18(24-11-13)19(20)21-15-7-8-17(22-2)14(10-15)12-23-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H2,20,21).
What are the key properties of N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide?
N'-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-4-methylthiophene-2-carboximidamide has a molecular weight of 360.55 g/mol, XLogP of 5.28, 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-methoxyphenyl]-4-methylthiophene-2-carboximidamide is sourced from PubChem (CID 90644575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).