(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine

C9H8BrNS2 — CID 61102813

IUPAC(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine
SMILESNC(c1ccsc1)c1ccc(Br)s1
InChIInChI=1S/C9H8BrNS2/c10-8-2-1-7(13-8)9(11)6-3-4-12-5-6/h1-5,9H,11H2
InChIKeyJLTWJVREZQIFLJ-UHFFFAOYSA-N
MW274.21 g/mol
LogP3.62
Rot. Bonds2

About (5-bromothiophen-2-yl)-thiophen-3-ylmethanamine

(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine (PubChem CID 61102813) has the molecular formula C9H8BrNS2 and a molecular weight of 274.21 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine
PubChem CID61102813
Molecular FormulaC9H8BrNS2
Molecular Weight274.21 g/mol
Exact Mass272.93
IUPAC Name(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine
SMILESNC(c1ccsc1)c1ccc(Br)s1
InChIInChI=1S/C9H8BrNS2/c10-8-2-1-7(13-8)9(11)6-3-4-12-5-6/h1-5,9H,11H2
InChIKeyJLTWJVREZQIFLJ-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(5-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 93054019
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104167
(3-bromo-5-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107950502
(5-bromothiophen-2-yl)-(3-methylphenyl)methanamine
CID 61102439
(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
CID 171200005
(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218747
(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 61347211
(S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203330
(S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine
CID 171203449

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-thiophen-3-ylmethanamine?
The IUPAC name of (5-bromothiophen-2-yl)-thiophen-3-ylmethanamine (CID 61102813) is (5-bromothiophen-2-yl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-thiophen-3-ylmethanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-thiophen-3-ylmethanamine is NC(c1ccsc1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-thiophen-3-ylmethanamine?
The InChIKey is JLTWJVREZQIFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNS2/c10-8-2-1-7(13-8)9(11)6-3-4-12-5-6/h1-5,9H,11H2.
What are the key properties of (5-bromothiophen-2-yl)-thiophen-3-ylmethanamine?
(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine has a molecular weight of 274.21 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 61102813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).