3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine

C11H10IN3S — CID 106678528

IUPAC3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccc(I)cc1
InChIInChI=1S/C11H10IN3S/c12-9-3-1-8(2-4-9)7-16-11-10(13)14-5-6-15-11/h1-6H,7H2,(H2,13,14)
InChIKeyIKINUCIVAONZQS-UHFFFAOYSA-N
MW343.19 g/mol
LogP2.96
Rot. Bonds3

About 3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine

3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine (PubChem CID 106678528) has the molecular formula C11H10IN3S and a molecular weight of 343.19 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine
PubChem CID106678528
Molecular FormulaC11H10IN3S
Molecular Weight343.19 g/mol
Exact Mass342.96
IUPAC Name3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1ccc(I)cc1
InChIInChI=1S/C11H10IN3S/c12-9-3-1-8(2-4-9)7-16-11-10(13)14-5-6-15-11/h1-6H,7H2,(H2,13,14)
InChIKeyIKINUCIVAONZQS-UHFFFAOYSA-N
XLogP2.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine
CID 106678727
3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyrazin-2-amine
CID 106679198
2-[(4-iodophenyl)methylsulfanyl]pyrimidine
CID 65490348
3-(pyridin-2-ylmethylsulfanyl)pyrazin-2-amine
CID 106679150
4-[(4-iodophenyl)methylsulfanyl]aniline
CID 65478638
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]pyrazin-2-amine
CID 106679000
3-[(5-chlorothiophen-2-yl)methylsulfanyl]pyrazin-2-amine
CID 106679263
3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine
CID 106679214
3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106679130
2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine
CID 43300797
3-(3-aminopropylsulfanyl)pyrazin-2-amine
CID 106678432
3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine
CID 106679346

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine (CID 106678528) is 3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine is Nc1nccnc1SCc1ccc(I)cc1.
What is the InChIKey of 3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is IKINUCIVAONZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3S/c12-9-3-1-8(2-4-9)7-16-11-10(13)14-5-6-15-11/h1-6H,7H2,(H2,13,14).
What are the key properties of 3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine?
3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 343.19 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106678528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).