4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile

C12H10BrN3O2S2 — CID 155558943

IUPAC4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile
SMILESN#Cc1c(NCCO)sc(C(=O)c2ccc(Br)s2)c1N
InChIInChI=1S/C12H10BrN3O2S2/c13-8-2-1-7(19-8)10(18)11-9(15)6(5-14)12(20-11)16-3-4-17/h1-2,16-17H,3-4,15H2
InChIKeyGHFFKNJXKNKXQC-UHFFFAOYSA-N
MW372.27 g/mol
LogP2.66
Rot. Bonds5

About 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile

4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile (PubChem CID 155558943) has the molecular formula C12H10BrN3O2S2 and a molecular weight of 372.27 g/mol. Its IUPAC name is 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile
PubChem CID155558943
Molecular FormulaC12H10BrN3O2S2
Molecular Weight372.27 g/mol
Exact Mass370.94
IUPAC Name4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile
SMILESN#Cc1c(NCCO)sc(C(=O)c2ccc(Br)s2)c1N
InChIInChI=1S/C12H10BrN3O2S2/c13-8-2-1-7(19-8)10(18)11-9(15)6(5-14)12(20-11)16-3-4-17/h1-2,16-17H,3-4,15H2
InChIKeyGHFFKNJXKNKXQC-UHFFFAOYSA-N
XLogP2.66
TPSA99.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile (CID 155558943) is 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile is N#Cc1c(NCCO)sc(C(=O)c2ccc(Br)s2)c1N.
What is the InChIKey of 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile?
The InChIKey is GHFFKNJXKNKXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2S2/c13-8-2-1-7(19-8)10(18)11-9(15)6(5-14)12(20-11)16-3-4-17/h1-2,16-17H,3-4,15H2.
What are the key properties of 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile?
4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile has a molecular weight of 372.27 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 155558943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).