3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide

C15H9Br2N5OS — CID 23007543

IUPAC3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1cc2c(N)c(C(=O)Nc3cc(Br)ccc3Br)sc2nc1N
InChIInChI=1S/C15H9Br2N5OS/c16-7-1-2-9(17)10(4-7)21-14(23)12-11(19)8-3-6(5-18)13(20)22-15(8)24-12/h1-4H,19H2,(H2,20,22)(H,21,23)
InChIKeyPSKGPOIJJQVGAL-UHFFFAOYSA-N
MW467.15 g/mol
LogP4.11
Rot. Bonds2

About 3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23007543) has the molecular formula C15H9Br2N5OS and a molecular weight of 467.15 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23007543
Molecular FormulaC15H9Br2N5OS
Molecular Weight467.15 g/mol
Exact Mass464.89
IUPAC Name3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1cc2c(N)c(C(=O)Nc3cc(Br)ccc3Br)sc2nc1N
InChIInChI=1S/C15H9Br2N5OS/c16-7-1-2-9(17)10(4-7)21-14(23)12-11(19)8-3-6(5-18)13(20)22-15(8)24-12/h1-4H,19H2,(H2,20,22)(H,21,23)
InChIKeyPSKGPOIJJQVGAL-UHFFFAOYSA-N
XLogP4.11
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.15
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-diamino-5-cyano-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2215175
3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 23007537
3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007536
3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 939705
3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3154865
3,6-diamino-5-cyano-N-(4-cyanocyclohexa-1,3-dien-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 90213432
3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 3554887
2-amino-N-(5-bromo-2-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107798285
3,6-diamino-2-(cyclopropanecarbonyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 3409545
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663693
3-amino-N-(2,4-dibromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23888878
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 23007543) is 3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide is N#Cc1cc2c(N)c(C(=O)Nc3cc(Br)ccc3Br)sc2nc1N.
What is the InChIKey of 3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is PSKGPOIJJQVGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2N5OS/c16-7-1-2-9(17)10(4-7)21-14(23)12-11(19)8-3-6(5-18)13(20)22-15(8)24-12/h1-4H,19H2,(H2,20,22)(H,21,23).
What are the key properties of 3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 467.15 g/mol, XLogP of 4.11, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23007543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).