[4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone

C21H23N5O3S — CID 20952004

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1
InChIInChI=1S/C21H23N5O3S/c27-19(24-10-12-25(13-11-24)20(28)17-4-2-14-29-17)15-5-8-26(9-6-15)21-23-16-3-1-7-22-18(16)30-21/h1-4,7,14-15H,5-6,8-13H2
InChIKeyYJBFQXBMLDMGKO-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.49
Rot. Bonds3

About [4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone (PubChem CID 20952004) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
PubChem CID20952004
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1
InChIInChI=1S/C21H23N5O3S/c27-19(24-10-12-25(13-11-24)20(28)17-4-2-14-29-17)15-5-8-26(9-6-15)21-23-16-3-1-7-22-18(16)30-21/h1-4,7,14-15H,5-6,8-13H2
InChIKeyYJBFQXBMLDMGKO-UHFFFAOYSA-N
XLogP2.49
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone (CID 20952004) is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?
The InChIKey is YJBFQXBMLDMGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c27-19(24-10-12-25(13-11-24)20(28)17-4-2-14-29-17)15-5-8-26(9-6-15)21-23-16-3-1-7-22-18(16)30-21/h1-4,7,14-15H,5-6,8-13H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone has a molecular weight of 425.51 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 20952004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).