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

C13H13BrN4OS2 — CID 155510507

IUPAC4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile
SMILESN#Cc1c(NCCCN)sc(C(=O)c2ccc(Br)s2)c1N
InChIInChI=1S/C13H13BrN4OS2/c14-9-3-2-8(20-9)11(19)12-10(17)7(6-16)13(21-12)18-5-1-4-15/h2-3,18H,1,4-5,15,17H2
InChIKeyRKOJBIGDJNRBJW-UHFFFAOYSA-N
MW385.31 g/mol
LogP3.02
Rot. Bonds6

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

4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile (PubChem CID 155510507) has the molecular formula C13H13BrN4OS2 and a molecular weight of 385.31 g/mol. Its IUPAC name is 4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile
PubChem CID155510507
Molecular FormulaC13H13BrN4OS2
Molecular Weight385.31 g/mol
Exact Mass383.97
IUPAC Name4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile
SMILESN#Cc1c(NCCCN)sc(C(=O)c2ccc(Br)s2)c1N
InChIInChI=1S/C13H13BrN4OS2/c14-9-3-2-8(20-9)11(19)12-10(17)7(6-16)13(21-12)18-5-1-4-15/h2-3,18H,1,4-5,15,17H2
InChIKeyRKOJBIGDJNRBJW-UHFFFAOYSA-N
XLogP3.02
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile
CID 1893291
2-Allylamino-4-amino-5-benzoyl-thiophene-3-carbonitrile
CID 1963940
4-Amino-5-[(5-chloro-2-thienyl)carbonyl]-2-(isopropylamino)-3-thiophenecarbonitrile
CID 47001335
4-Amino-5-(5-iodothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155521164
4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-(ethylamino)thiophene-3-carbonitrile
CID 155522409
4-Amino-5-(5-bromothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155522952
4-Amino-5-(4-bromothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155523587
4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile
CID 155531664
2-[[4-Amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide
CID 155538487
4-Amino-5-(4-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155549136
4-Amino-5-(5-bromothiophene-2-carbonyl)-2-(2-piperazin-1-ylethylamino)thiophene-3-carbonitrile
CID 155555255
4-Amino-5-(5-bromothiophene-2-carbonyl)-2-(2-hydroxyethylamino)thiophene-3-carbonitrile
CID 155558943

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile (CID 155510507) is 4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile is N#Cc1c(NCCCN)sc(C(=O)c2ccc(Br)s2)c1N.
What is the InChIKey of 4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile?
The InChIKey is RKOJBIGDJNRBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4OS2/c14-9-3-2-8(20-9)11(19)12-10(17)7(6-16)13(21-12)18-5-1-4-15/h2-3,18H,1,4-5,15,17H2.
What are the key properties of 4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile?
4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile has a molecular weight of 385.31 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile is sourced from PubChem (CID 155510507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).