3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C16H19N3OS — CID 82522854

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESNc1nc(-c2cc3c(n(C4CCCC4)c2=O)CCC3)cs1
InChIInChI=1S/C16H19N3OS/c17-16-18-13(9-21-16)12-8-10-4-3-7-14(10)19(15(12)20)11-5-1-2-6-11/h8-9,11H,1-7H2,(H2,17,18)
InChIKeyRDKAEIDRKUGWMT-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.16
Rot. Bonds2

About 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82522854) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82522854
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESNc1nc(-c2cc3c(n(C4CCCC4)c2=O)CCC3)cs1
InChIInChI=1S/C16H19N3OS/c17-16-18-13(9-21-16)12-8-10-4-3-7-14(10)19(15(12)20)11-5-1-2-6-11/h8-9,11H,1-7H2,(H2,17,18)
InChIKeyRDKAEIDRKUGWMT-UHFFFAOYSA-N
XLogP3.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82522854) is 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is Nc1nc(-c2cc3c(n(C4CCCC4)c2=O)CCC3)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is RDKAEIDRKUGWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-16-18-13(9-21-16)12-8-10-4-3-7-14(10)19(15(12)20)11-5-1-2-6-11/h8-9,11H,1-7H2,(H2,17,18).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 301.41 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82522854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).