5-bromo-3-propan-2-ylthiophen-2-amine

C7H10BrNS — CID 98772409

IUPAC5-bromo-3-propan-2-ylthiophen-2-amine
SMILESCC(C)c1cc(Br)sc1N
InChIInChI=1S/C7H10BrNS/c1-4(2)5-3-6(8)10-7(5)9/h3-4H,9H2,1-2H3
InChIKeyFSTODYLENTXSHG-UHFFFAOYSA-N
MW220.14 g/mol
LogP3.22
Rot. Bonds1

About 5-bromo-3-propan-2-ylthiophen-2-amine

5-bromo-3-propan-2-ylthiophen-2-amine (PubChem CID 98772409) has the molecular formula C7H10BrNS and a molecular weight of 220.14 g/mol. Its IUPAC name is 5-bromo-3-propan-2-ylthiophen-2-amine.

Molecular Properties

Compound Name5-bromo-3-propan-2-ylthiophen-2-amine
PubChem CID98772409
Molecular FormulaC7H10BrNS
Molecular Weight220.14 g/mol
Exact Mass218.97
IUPAC Name5-bromo-3-propan-2-ylthiophen-2-amine
SMILESCC(C)c1cc(Br)sc1N
InChIInChI=1S/C7H10BrNS/c1-4(2)5-3-6(8)10-7(5)9/h3-4H,9H2,1-2H3
InChIKeyFSTODYLENTXSHG-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-propan-2-ylthiophen-2-amine?
The IUPAC name of 5-bromo-3-propan-2-ylthiophen-2-amine (CID 98772409) is 5-bromo-3-propan-2-ylthiophen-2-amine.
What is the SMILES notation for 5-bromo-3-propan-2-ylthiophen-2-amine?
The canonical SMILES for 5-bromo-3-propan-2-ylthiophen-2-amine is CC(C)c1cc(Br)sc1N.
What is the InChIKey of 5-bromo-3-propan-2-ylthiophen-2-amine?
The InChIKey is FSTODYLENTXSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-4(2)5-3-6(8)10-7(5)9/h3-4H,9H2,1-2H3.
What are the key properties of 5-bromo-3-propan-2-ylthiophen-2-amine?
5-bromo-3-propan-2-ylthiophen-2-amine has a molecular weight of 220.14 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-propan-2-ylthiophen-2-amine is sourced from PubChem (CID 98772409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).