[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone

C19H24N4OS — CID 135115677

IUPAC[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccnc(NCCc2nc3c(s2)CCC3)c1)N1CCCCC1
InChIInChI=1S/C19H24N4OS/c24-19(23-11-2-1-3-12-23)14-7-9-20-17(13-14)21-10-8-18-22-15-5-4-6-16(15)25-18/h7,9,13H,1-6,8,10-12H2,(H,20,21)
InChIKeyIQRYIDJPLNBIPC-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.31
Rot. Bonds5

About [2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone

[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 135115677) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is [2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID135115677
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccnc(NCCc2nc3c(s2)CCC3)c1)N1CCCCC1
InChIInChI=1S/C19H24N4OS/c24-19(23-11-2-1-3-12-23)14-7-9-20-17(13-14)21-10-8-18-22-15-5-4-6-16(15)25-18/h7,9,13H,1-6,8,10-12H2,(H,20,21)
InChIKeyIQRYIDJPLNBIPC-UHFFFAOYSA-N
XLogP3.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone (CID 135115677) is [2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccnc(NCCc2nc3c(s2)CCC3)c1)N1CCCCC1.
What is the InChIKey of [2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is IQRYIDJPLNBIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-19(23-11-2-1-3-12-23)14-7-9-20-17(13-14)21-10-8-18-22-15-5-4-6-16(15)25-18/h7,9,13H,1-6,8,10-12H2,(H,20,21).
What are the key properties of [2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 356.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135115677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).