5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide

C18H13N3S2 — CID 155567109

IUPAC5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cncc4ccccc34)s2)s1
InChIInChI=1S/C18H13N3S2/c19-18(20)17-8-7-16(23-17)15-6-5-14(22-15)13-10-21-9-11-3-1-2-4-12(11)13/h1-10H,(H3,19,20)
InChIKeyKISLJRQENADLHQ-UHFFFAOYSA-N
MW335.46 g/mol
LogP4.98
Rot. Bonds3

About 5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide

5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide (PubChem CID 155567109) has the molecular formula C18H13N3S2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide
PubChem CID155567109
Molecular FormulaC18H13N3S2
Molecular Weight335.46 g/mol
Exact Mass335.06
IUPAC Name5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cncc4ccccc34)s2)s1
InChIInChI=1S/C18H13N3S2/c19-18(20)17-8-7-16(23-17)15-6-5-14(22-15)13-10-21-9-11-3-1-2-4-12(11)13/h1-10H,(H3,19,20)
InChIKeyKISLJRQENADLHQ-UHFFFAOYSA-N
XLogP4.98
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 54.98
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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Related Compounds

Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
5-[5-(5-Carbamimidoylthiophen-2-yl)thiophen-2-yl]pyridine-2-carboximidamide;hydrochloride
CID 53321994
3,5-Di(thiophen-3-yl)pyridine
CID 59590435
3,5-Bis(3-methylthiophen-2-yl)pyridine
CID 59590437
(2-Pyridin-3-yl-1-benzothiophen-3-yl)methanamine
CID 46228257
2-Pyridin-4-yl-1-benzothiophene-5-carboximidamide
CID 85945253
1-(Thien-2-yl)isoquinoline
CID 251367
3,5-Di(2-thienyl)pyridine
CID 618349
Thieno[2,3-c]isoquinoline
CID 14452373
6-(2,2'-Bithiophene-5-YL)nicotinamidine
CID 76333764
2-Fluoro-4-(5-isoquinolin-4-ylthiophen-2-yl)benzenecarboximidamide
CID 164946306
4-Phenylselanyl-3-thiophen-3-ylisoquinoline
CID 178315706

Frequently Asked Questions

What is the IUPAC name of 5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide?
The IUPAC name of 5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide (CID 155567109) is 5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide.
What is the SMILES notation for 5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide?
The canonical SMILES for 5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cncc4ccccc34)s2)s1.
What is the InChIKey of 5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide?
The InChIKey is KISLJRQENADLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S2/c19-18(20)17-8-7-16(23-17)15-6-5-14(22-15)13-10-21-9-11-3-1-2-4-12(11)13/h1-10H,(H3,19,20).
What are the key properties of 5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide?
5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide has a molecular weight of 335.46 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-isoquinolin-4-ylthiophen-2-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 155567109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).