[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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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
CID 2414029
2-(furan-2-yl)-5-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145971923
N-[2-(dimethylamino)-5-[[11-(pyridine-2-carbonyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]amino]phenyl]furan-2-carboxamide
CID 162670603
N-(4-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032587
N-(3-{[1,3]Thiazolo[5,4-B]pyridin-2-YL}phenyl)furan-2-carboxamide
CID 3244574
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 4336986
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032471
N-(6-fluorobenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032526
N-(4-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032616
[4-(Furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone
CID 5309767
N-(4-ethoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032333
2-[5-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 644668

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).