4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride

C15H19ClN2S — CID 67850388

IUPAC4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc2c(C=CCC(C)C)cccc2s1
InChIInChI=1S/C15H18N2S.ClH/c1-10(2)5-3-6-11-7-4-8-13-12(11)9-14(18-13)15(16)17;/h3-4,6-10H,5H2,1-2H3,(H3,16,17);1H
InChIKeyYSWQMYOTXBJRJT-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.67
Rot. Bonds4

About 4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride

4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride (PubChem CID 67850388) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride
PubChem CID67850388
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc2c(C=CCC(C)C)cccc2s1
InChIInChI=1S/C15H18N2S.ClH/c1-10(2)5-3-6-11-7-4-8-13-12(11)9-14(18-13)15(16)17;/h3-4,6-10H,5H2,1-2H3,(H3,16,17);1H
InChIKeyYSWQMYOTXBJRJT-UHFFFAOYSA-N
XLogP4.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride
CID 67850507
4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide
CID 54430955
4-chloro-1-benzothiophene-2-carboximidamide;trihydrate;hydrochloride
CID 19007611
4-prop-2-enylsulfanyl-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007354
4-propyl-1-benzothiophene-2-carboximidamide
CID 19007628
4-(methoxymethyl)-1-benzothiophene-2-carboximidamide
CID 89153115
4-(2-phenylethynyl)-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007638
5-methylthiophene-2-carboximidamide;hydrochloride
CID 52988386
4-bromo-5-methyl-1-benzothiophene-2-carboximidamide;dodecahydrate;hydrochloride
CID 19007357
4-pyridin-3-yl-1-benzothiophene-2-carboximidamide
CID 15230355
4-morpholin-4-yl-1-benzothiophene-2-carboximidamide
CID 56977153
benzo[f][1]benzothiole-2-carboximidamide;hydrochloride
CID 19007393

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride?
The IUPAC name of 4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride (CID 67850388) is 4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for 4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for 4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc2c(C=CCC(C)C)cccc2s1.
What is the InChIKey of 4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride?
The InChIKey is YSWQMYOTXBJRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S.ClH/c1-10(2)5-3-6-11-7-4-8-13-12(11)9-14(18-13)15(16)17;/h3-4,6-10H,5H2,1-2H3,(H3,16,17);1H.
What are the key properties of 4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride?
4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride has a molecular weight of 294.85 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 67850388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).