1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine

C10H12BrN3S2 — CID 107779753

IUPAC1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine
SMILESCC(N)C(Sc1ncc[nH]1)c1ccc(Br)s1
InChIInChI=1S/C10H12BrN3S2/c1-6(12)9(7-2-3-8(11)15-7)16-10-13-4-5-14-10/h2-6,9H,12H2,1H3,(H,13,14)
InChIKeyMOTWVVSEIAJVDX-UHFFFAOYSA-N
MW318.27 g/mol
LogP3.41
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine

1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine (PubChem CID 107779753) has the molecular formula C10H12BrN3S2 and a molecular weight of 318.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine
PubChem CID107779753
Molecular FormulaC10H12BrN3S2
Molecular Weight318.27 g/mol
Exact Mass316.97
IUPAC Name1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine
SMILESCC(N)C(Sc1ncc[nH]1)c1ccc(Br)s1
InChIInChI=1S/C10H12BrN3S2/c1-6(12)9(7-2-3-8(11)15-7)16-10-13-4-5-14-10/h2-6,9H,12H2,1H3,(H,13,14)
InChIKeyMOTWVVSEIAJVDX-UHFFFAOYSA-N
XLogP3.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine (CID 107779753) is 1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine is CC(N)C(Sc1ncc[nH]1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine?
The InChIKey is MOTWVVSEIAJVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S2/c1-6(12)9(7-2-3-8(11)15-7)16-10-13-4-5-14-10/h2-6,9H,12H2,1H3,(H,13,14).
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine?
1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine has a molecular weight of 318.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 107779753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).