5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide

C17H15N3S2 — CID 18536929

IUPAC5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccc(-c3ccccc3)cn2)c(SC)s1
InChIInChI=1S/C17H15N3S2/c1-21-17-13(9-15(22-17)16(18)19)14-8-7-12(10-20-14)11-5-3-2-4-6-11/h2-10H,1H3,(H3,18,19)
InChIKeyPUHIWYRNPCRYHR-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.48
Rot. Bonds4

About 5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide

5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide (PubChem CID 18536929) has the molecular formula C17H15N3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide
PubChem CID18536929
Molecular FormulaC17H15N3S2
Molecular Weight325.46 g/mol
Exact Mass325.07
IUPAC Name5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccc(-c3ccccc3)cn2)c(SC)s1
InChIInChI=1S/C17H15N3S2/c1-21-17-13(9-15(22-17)16(18)19)14-8-7-12(10-20-14)11-5-3-2-4-6-11/h2-10H,1H3,(H3,18,19)
InChIKeyPUHIWYRNPCRYHR-UHFFFAOYSA-N
XLogP4.48
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.48
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 5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide?
The IUPAC name of 5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide (CID 18536929) is 5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide.
What is the SMILES notation for 5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide?
The canonical SMILES for 5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2ccc(-c3ccccc3)cn2)c(SC)s1.
What is the InChIKey of 5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide?
The InChIKey is PUHIWYRNPCRYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S2/c1-21-17-13(9-15(22-17)16(18)19)14-8-7-12(10-20-14)11-5-3-2-4-6-11/h2-10H,1H3,(H3,18,19).
What are the key properties of 5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide?
5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide has a molecular weight of 325.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide is sourced from PubChem (CID 18536929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).