2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide

C12H9BrN4O2S2 — CID 155538487

IUPAC2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide
SMILESN#Cc1c(NCC(N)=O)sc(C(=O)c2ccc(Br)s2)c1N
InChIInChI=1S/C12H9BrN4O2S2/c13-7-2-1-6(20-7)10(19)11-9(16)5(3-14)12(21-11)17-4-8(15)18/h1-2,17H,4,16H2,(H2,15,18)
InChIKeyGFFSEABOLWSAEB-UHFFFAOYSA-N
MW385.27 g/mol
LogP2.15
Rot. Bonds5

About 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide

2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide (PubChem CID 155538487) has the molecular formula C12H9BrN4O2S2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide
PubChem CID155538487
Molecular FormulaC12H9BrN4O2S2
Molecular Weight385.27 g/mol
Exact Mass383.94
IUPAC Name2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide
SMILESN#Cc1c(NCC(N)=O)sc(C(=O)c2ccc(Br)s2)c1N
InChIInChI=1S/C12H9BrN4O2S2/c13-7-2-1-6(20-7)10(19)11-9(16)5(3-14)12(21-11)17-4-8(15)18/h1-2,17H,4,16H2,(H2,15,18)
InChIKeyGFFSEABOLWSAEB-UHFFFAOYSA-N
XLogP2.15
TPSA122.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide 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
4-Amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile
CID 155510507
4-Amino-5-(5-iodothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155521164
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-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
4-Amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155566733
2-Allylamino-4-amino-5-(thiophene-2-carbonyl)-thiophene-3-carbonitrile
CID 653748
4-Amino-2-(ethylamino)-5-(thiophene-2-carbonyl)thiophene-3-carbonitrile
CID 660621
4-Amino-5-(5-bromothiophene-2-carbonyl)-2-(2-cyanoanilino)thiophene-3-carbonitrile
CID 155552256
2-Amino-4-[(5-bromo(2-thienyl))carbonyl]-5-(prop-2-enylamino)thiophene-3-carbo nitrile
CID 3965585

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide?
The IUPAC name of 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide (CID 155538487) is 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide?
The canonical SMILES for 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide is N#Cc1c(NCC(N)=O)sc(C(=O)c2ccc(Br)s2)c1N.
What is the InChIKey of 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide?
The InChIKey is GFFSEABOLWSAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O2S2/c13-7-2-1-6(20-7)10(19)11-9(16)5(3-14)12(21-11)17-4-8(15)18/h1-2,17H,4,16H2,(H2,15,18).
What are the key properties of 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide?
2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide has a molecular weight of 385.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(5-bromothiophene-2-carbonyl)-3-cyanothiophen-2-yl]amino]acetamide is sourced from PubChem (CID 155538487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).