[3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+)

C17H12ClN4O2RbS — CID 144797004

IUPAC[3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+)
SMILESC[N-]C(=O)c1sc2nc(C)c(Cl)c(C)c2c1-c1ccc2nonc2c1.[Rb+]
InChIInChI=1S/C17H13ClN4O2S.Rb/c1-7-12-13(9-4-5-10-11(6-9)22-24-21-10)15(16(23)19-3)25-17(12)20-8(2)14(7)18;/h4-6H,1-3H3,(H,19,23);/q;+1/p-1
InChIKeyNUFQJGJOTLSQMU-UHFFFAOYSA-M
MW457.30 g/mol
LogP1.92
Rot. Bonds2

About [3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+)

[3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+) (PubChem CID 144797004) has the molecular formula C17H12ClN4O2RbS and a molecular weight of 457.30 g/mol. Its IUPAC name is [3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+).

Molecular Properties

Compound Name[3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+)
PubChem CID144797004
Molecular FormulaC17H12ClN4O2RbS
Molecular Weight457.30 g/mol
Exact Mass455.95
IUPAC Name[3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+)
SMILESC[N-]C(=O)c1sc2nc(C)c(Cl)c(C)c2c1-c1ccc2nonc2c1.[Rb+]
InChIInChI=1S/C17H13ClN4O2S.Rb/c1-7-12-13(9-4-5-10-11(6-9)22-24-21-10)15(16(23)19-3)25-17(12)20-8(2)14(7)18;/h4-6H,1-3H3,(H,19,23);/q;+1/p-1
InChIKeyNUFQJGJOTLSQMU-UHFFFAOYSA-M
XLogP1.92
TPSA82.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-chloro-4,6-dimethyl-3-quinoxalin-6-ylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)
CID 144796975
[5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 121479821
N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide
CID 16762602
3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479810
5-(4-methylphenyl)-2,1,3-benzoxadiazole
CID 176952924
N-(2-adamantyl)-5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 121472182
5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 121479876
S-(2,4-dichlorophenyl) 2-(2,1,3-benzoxadiazol-5-yl)-1,3-thiazole-4-carbothioate
CID 2821826
5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479860
3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 121479811
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 123870514
3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 53382542

Frequently Asked Questions

What is the IUPAC name of [3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+)?
The IUPAC name of [3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+) (CID 144797004) is [3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+).
What is the SMILES notation for [3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+)?
The canonical SMILES for [3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+) is C[N-]C(=O)c1sc2nc(C)c(Cl)c(C)c2c1-c1ccc2nonc2c1.[Rb+].
What is the InChIKey of [3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+)?
The InChIKey is NUFQJGJOTLSQMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13ClN4O2S.Rb/c1-7-12-13(9-4-5-10-11(6-9)22-24-21-10)15(16(23)19-3)25-17(12)20-8(2)14(7)18;/h4-6H,1-3H3,(H,19,23);/q;+1/p-1.
What are the key properties of [3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+)?
[3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+) has a molecular weight of 457.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,1,3-benzoxadiazol-5-yl)-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl]-methylazanide;rubidium(1+) is sourced from PubChem (CID 144797004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).