4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride

C12H13ClN2S — CID 67850507

IUPAC4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc2c(C=CC)cccc2s1
InChIInChI=1S/C12H12N2S.ClH/c1-2-4-8-5-3-6-10-9(8)7-11(15-10)12(13)14;/h2-7H,1H3,(H3,13,14);1H
InChIKeyCUHVSDOHVONMCN-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.64
Rot. Bonds2

About 4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride

4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride (PubChem CID 67850507) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride
PubChem CID67850507
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc2c(C=CC)cccc2s1
InChIInChI=1S/C12H12N2S.ClH/c1-2-4-8-5-3-6-10-9(8)7-11(15-10)12(13)14;/h2-7H,1H3,(H3,13,14);1H
InChIKeyCUHVSDOHVONMCN-UHFFFAOYSA-N
XLogP3.64
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.64
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'}

Analyze 4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride 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

4-(4-methylpent-1-enyl)-1-benzothiophene-2-carboximidamide;hydrochloride
CID 67850388
4-[2-(furan-2-yl)ethenyl]-1-benzothiophene-2-carboximidamide
CID 54430955
4-chloro-1-benzothiophene-2-carboximidamide;trihydrate;hydrochloride
CID 19007611
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
4-prop-2-enylsulfanyl-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007354
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-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride?
The IUPAC name of 4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride (CID 67850507) is 4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for 4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for 4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc2c(C=CC)cccc2s1.
What is the InChIKey of 4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride?
The InChIKey is CUHVSDOHVONMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S.ClH/c1-2-4-8-5-3-6-10-9(8)7-11(15-10)12(13)14;/h2-7H,1H3,(H3,13,14);1H.
What are the key properties of 4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride?
4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride has a molecular weight of 252.77 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enyl-1-benzothiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 67850507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).