2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol

C12H10N4OS — CID 139629986

IUPAC2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol
SMILES[N-]=[N+]=NC1C=C(c2csc3ncccc23)CC1O
InChIInChI=1S/C12H10N4OS/c13-16-15-10-4-7(5-11(10)17)9-6-18-12-8(9)2-1-3-14-12/h1-4,6,10-11,17H,5H2
InChIKeyWHEWQXMZYRTDAZ-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.12
Rot. Bonds2

About 2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol

2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol (PubChem CID 139629986) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol
PubChem CID139629986
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol
SMILES[N-]=[N+]=NC1C=C(c2csc3ncccc23)CC1O
InChIInChI=1S/C12H10N4OS/c13-16-15-10-4-7(5-11(10)17)9-6-18-12-8(9)2-1-3-14-12/h1-4,6,10-11,17H,5H2
InChIKeyWHEWQXMZYRTDAZ-UHFFFAOYSA-N
XLogP3.12
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine
CID 139629965
tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate
CID 139629992
4-thieno[2,3-b]pyridin-3-ylphenol
CID 139624317
3-cyclopropylthieno[2,3-b]pyridine
CID 119087285
tert-butyl 4-thieno[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139630002
3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine
CID 59796423
N-(1-thieno[2,3-b]pyridin-3-ylethylidene)hydroxylamine
CID 130883012
2-thieno[2,3-b]pyridin-3-ylacetic acid
CID 82402092
4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid
CID 74892802
3-(fluoromethoxy)thieno[2,3-b]pyridine
CID 119087038
1-methyl-6-thieno[2,3-b]pyridin-3-ylpiperidin-3-amine
CID 82383690
1-methyl-5-thieno[2,3-b]pyridin-3-ylpiperidin-3-amine
CID 82383679

Frequently Asked Questions

What is the IUPAC name of 2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol?
The IUPAC name of 2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol (CID 139629986) is 2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol.
What is the SMILES notation for 2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol?
The canonical SMILES for 2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol is [N-]=[N+]=NC1C=C(c2csc3ncccc23)CC1O.
What is the InChIKey of 2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol?
The InChIKey is WHEWQXMZYRTDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-16-15-10-4-7(5-11(10)17)9-6-18-12-8(9)2-1-3-14-12/h1-4,6,10-11,17H,5H2.
What are the key properties of 2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol?
2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol has a molecular weight of 258.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol is sourced from PubChem (CID 139629986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).