3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine

C12H12N2S — CID 139629965

IUPAC3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine
SMILESNC1C=C(c2csc3ncccc23)CC1
InChIInChI=1S/C12H12N2S/c13-9-4-3-8(6-9)11-7-15-12-10(11)2-1-5-14-12/h1-2,5-7,9H,3-4,13H2
InChIKeyOIKIWAHVQKTVDM-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.80
Rot. Bonds1

About 3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine

3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine (PubChem CID 139629965) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine
PubChem CID139629965
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine
SMILESNC1C=C(c2csc3ncccc23)CC1
InChIInChI=1S/C12H12N2S/c13-9-4-3-8(6-9)11-7-15-12-10(11)2-1-5-14-12/h1-2,5-7,9H,3-4,13H2
InChIKeyOIKIWAHVQKTVDM-UHFFFAOYSA-N
XLogP2.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropylthieno[2,3-b]pyridine
CID 119087285
2-azido-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-ol
CID 139629986
4-thieno[2,3-b]pyridin-3-ylphenol
CID 139624317
3-(3-chlorothiophen-2-yl)cyclopent-2-en-1-amine
CID 107360840
tert-butyl N-(2-hydroxy-4-thieno[2,3-b]pyridin-3-ylcyclopent-3-en-1-yl)carbamate
CID 139629992
1-methyl-6-thieno[2,3-b]pyridin-3-ylpiperidin-3-amine
CID 82383690
3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine
CID 59796423
tert-butyl 4-thieno[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139630002
1-methyl-5-thieno[2,3-b]pyridin-3-ylpiperidin-3-amine
CID 82383679
4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid
CID 74892802
2-thieno[2,3-b]pyridin-3-ylacetic acid
CID 82402092
3-(fluoromethoxy)thieno[2,3-b]pyridine
CID 119087038

Frequently Asked Questions

What is the IUPAC name of 3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine?
The IUPAC name of 3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine (CID 139629965) is 3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine.
What is the SMILES notation for 3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine?
The canonical SMILES for 3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine is NC1C=C(c2csc3ncccc23)CC1.
What is the InChIKey of 3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine?
The InChIKey is OIKIWAHVQKTVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-9-4-3-8(6-9)11-7-15-12-10(11)2-1-5-14-12/h1-2,5-7,9H,3-4,13H2.
What are the key properties of 3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine?
3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine has a molecular weight of 216.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-amine is sourced from PubChem (CID 139629965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).