N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine

C11H11BrN2S2 — CID 115735843

IUPACN-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine
SMILESCSc1ccc(NCc2csc(Br)c2)nc1
InChIInChI=1S/C11H11BrN2S2/c1-15-9-2-3-11(14-6-9)13-5-8-4-10(12)16-7-8/h2-4,6-7H,5H2,1H3,(H,13,14)
InChIKeyBJQXNCFRYDCCBB-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.24
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine

N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine (PubChem CID 115735843) has the molecular formula C11H11BrN2S2 and a molecular weight of 315.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine
PubChem CID115735843
Molecular FormulaC11H11BrN2S2
Molecular Weight315.26 g/mol
Exact Mass313.95
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine
SMILESCSc1ccc(NCc2csc(Br)c2)nc1
InChIInChI=1S/C11H11BrN2S2/c1-15-9-2-3-11(14-6-9)13-5-8-4-10(12)16-7-8/h2-4,6-7H,5H2,1H3,(H,13,14)
InChIKeyBJQXNCFRYDCCBB-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine (CID 115735843) is N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine is CSc1ccc(NCc2csc(Br)c2)nc1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine?
The InChIKey is BJQXNCFRYDCCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S2/c1-15-9-2-3-11(14-6-9)13-5-8-4-10(12)16-7-8/h2-4,6-7H,5H2,1H3,(H,13,14).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine has a molecular weight of 315.26 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-5-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 115735843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).