N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine

C14H15ClN2OS — CID 81252058

IUPACN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C14H15ClN2OS/c1-2-18-14-11(4-3-7-16-14)17-10-5-6-12-9(10)8-13(15)19-12/h3-4,7-8,10,17H,2,5-6H2,1H3
InChIKeyHYWOUXRAARPXKF-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.29
Rot. Bonds4

About N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine

N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine (PubChem CID 81252058) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine
PubChem CID81252058
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C14H15ClN2OS/c1-2-18-14-11(4-3-7-16-14)17-10-5-6-12-9(10)8-13(15)19-12/h3-4,7-8,10,17H,2,5-6H2,1H3
InChIKeyHYWOUXRAARPXKF-UHFFFAOYSA-N
XLogP4.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine?
The IUPAC name of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine (CID 81252058) is N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine?
The canonical SMILES for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine is CCOc1ncccc1NC1CCc2sc(Cl)cc21.
What is the InChIKey of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine?
The InChIKey is HYWOUXRAARPXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-2-18-14-11(4-3-7-16-14)17-10-5-6-12-9(10)8-13(15)19-12/h3-4,7-8,10,17H,2,5-6H2,1H3.
What are the key properties of N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine?
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine has a molecular weight of 294.81 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine is sourced from PubChem (CID 81252058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).