2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile

C9H5BrN2S2 — CID 71565211

IUPAC2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)s2)csc1N
InChIInChI=1S/C9H5BrN2S2/c10-8-2-1-7(14-8)6-4-13-9(12)5(6)3-11/h1-2,4H,12H2
InChIKeyWASVWZTWNKYJOE-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.69
Rot. Bonds1

About 2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile

2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile (PubChem CID 71565211) has the molecular formula C9H5BrN2S2 and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile
PubChem CID71565211
Molecular FormulaC9H5BrN2S2
Molecular Weight285.19 g/mol
Exact Mass283.91
IUPAC Name2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)s2)csc1N
InChIInChI=1S/C9H5BrN2S2/c10-8-2-1-7(14-8)6-4-13-9(12)5(6)3-11/h1-2,4H,12H2
InChIKeyWASVWZTWNKYJOE-UHFFFAOYSA-N
XLogP3.69
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile (CID 71565211) is 2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile is N#Cc1c(-c2ccc(Br)s2)csc1N.
What is the InChIKey of 2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile?
The InChIKey is WASVWZTWNKYJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2S2/c10-8-2-1-7(14-8)6-4-13-9(12)5(6)3-11/h1-2,4H,12H2.
What are the key properties of 2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile?
2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile has a molecular weight of 285.19 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromothiophen-2-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 71565211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).