2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone

C14H14N2OS — CID 116601540

IUPAC2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)C1CCc2cccnc21)c1cccs1
InChIInChI=1S/C14H14N2OS/c15-12(11-4-2-8-18-11)14(17)10-6-5-9-3-1-7-16-13(9)10/h1-4,7-8,10,12H,5-6,15H2
InChIKeyHTCKWYAIVHCBFT-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.44
Rot. Bonds3

About 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone

2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone (PubChem CID 116601540) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone
PubChem CID116601540
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)C1CCc2cccnc21)c1cccs1
InChIInChI=1S/C14H14N2OS/c15-12(11-4-2-8-18-11)14(17)10-6-5-9-3-1-7-16-13(9)10/h1-4,7-8,10,12H,5-6,15H2
InChIKeyHTCKWYAIVHCBFT-UHFFFAOYSA-N
XLogP2.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-2-yl)methanamine
CID 79745456
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)pentan-1-one
CID 116554606
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-thiophen-2-ylbutan-1-one
CID 105115445
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone
CID 115783796
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone
CID 79745567
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
(3-chlorothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783692
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone
CID 113289685
1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one
CID 105114181

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone (CID 116601540) is 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone is NC(C(=O)C1CCc2cccnc21)c1cccs1.
What is the InChIKey of 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone?
The InChIKey is HTCKWYAIVHCBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-12(11-4-2-8-18-11)14(17)10-6-5-9-3-1-7-16-13(9)10/h1-4,7-8,10,12H,5-6,15H2.
What are the key properties of 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone?
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone has a molecular weight of 258.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 116601540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).