4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C8H7IN4S2 — CID 83084704

IUPAC4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2csc(I)c2)n1
InChIInChI=1S/C8H7IN4S2/c1-14-8-12-6(11-7(10)13-8)4-2-5(9)15-3-4/h2-3H,1H3,(H2,10,11,12,13)
InChIKeyBOIDNCHTCMZLJV-UHFFFAOYSA-N
MW350.21 g/mol
LogP2.51
Rot. Bonds2

About 4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83084704) has the molecular formula C8H7IN4S2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83084704
Molecular FormulaC8H7IN4S2
Molecular Weight350.21 g/mol
Exact Mass349.92
IUPAC Name4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2csc(I)c2)n1
InChIInChI=1S/C8H7IN4S2/c1-14-8-12-6(11-7(10)13-8)4-2-5(9)15-3-4/h2-3H,1H3,(H2,10,11,12,13)
InChIKeyBOIDNCHTCMZLJV-UHFFFAOYSA-N
XLogP2.51
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfanyl-6-pyridazin-4-yl-1,3,5-triazin-2-amine
CID 104670074
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083653
4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine
CID 83084099
4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine
CID 83084460
4-(3-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085161
4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084823
4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084820
4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085029
4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909346
4-(6-methyl-2-pyridinyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084815
4-(5-methylfuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909370
4-(4-methoxy-3-nitrophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909383

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83084704) is 4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2csc(I)c2)n1.
What is the InChIKey of 4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is BOIDNCHTCMZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN4S2/c1-14-8-12-6(11-7(10)13-8)4-2-5(9)15-3-4/h2-3H,1H3,(H2,10,11,12,13).
What are the key properties of 4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 350.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).