2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide

C14H16N4OS — CID 129052515

IUPAC2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC2CCc3cccnc32)cs1
InChIInChI=1S/C14H16N4OS/c15-6-5-12-17-11(8-20-12)14(19)18-10-4-3-9-2-1-7-16-13(9)10/h1-2,7-8,10H,3-6,15H2,(H,18,19)
InChIKeyJWOVBZWAMWUKCK-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.46
Rot. Bonds4

About 2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide (PubChem CID 129052515) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide
PubChem CID129052515
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC2CCc3cccnc32)cs1
InChIInChI=1S/C14H16N4OS/c15-6-5-12-17-11(8-20-12)14(19)18-10-4-3-9-2-1-7-16-13(9)10/h1-2,7-8,10H,3-6,15H2,(H,18,19)
InChIKeyJWOVBZWAMWUKCK-UHFFFAOYSA-N
XLogP1.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide (CID 129052515) is 2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NC2CCc3cccnc32)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JWOVBZWAMWUKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-6-5-12-17-11(8-20-12)14(19)18-10-4-3-9-2-1-7-16-13(9)10/h1-2,7-8,10H,3-6,15H2,(H,18,19).
What are the key properties of 2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 129052515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).