N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride

C15H21Cl2N3OS — CID 70141681

IUPACN'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN(CCO)Cc1cccc(/N=C(\N)c2cccs2)c1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-18(7-8-19)11-12-4-2-5-13(10-12)17-15(16)14-6-3-9-20-14;;/h2-6,9-10,19H,7-8,11H2,1H3,(H2,16,17);2*1H
InChIKeyBUBIDXCZIUIDSZ-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.05
Rot. Bonds6

About N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride

N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 70141681) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID70141681
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC NameN'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN(CCO)Cc1cccc(/N=C(\N)c2cccs2)c1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-18(7-8-19)11-12-4-2-5-13(10-12)17-15(16)14-6-3-9-20-14;;/h2-6,9-10,19H,7-8,11H2,1H3,(H2,16,17);2*1H
InChIKeyBUBIDXCZIUIDSZ-UHFFFAOYSA-N
XLogP3.05
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
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-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride (CID 70141681) is N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride is CN(CCO)Cc1cccc(/N=C(\N)c2cccs2)c1.Cl.Cl.
What is the InChIKey of N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is BUBIDXCZIUIDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-18(7-8-19)11-12-4-2-5-13(10-12)17-15(16)14-6-3-9-20-14;;/h2-6,9-10,19H,7-8,11H2,1H3,(H2,16,17);2*1H.
What are the key properties of N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride?
N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 70141681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).