N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

C19H22N4O2S2 — CID 20952101

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCCSCc1ccco1)C1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C19H22N4O2S2/c24-17(20-8-12-26-13-15-3-2-11-25-15)14-5-9-23(10-6-14)19-22-16-4-1-7-21-18(16)27-19/h1-4,7,11,14H,5-6,8-10,12-13H2,(H,20,24)
InChIKeyKKTVNSJRGQRTDT-UHFFFAOYSA-N
MW402.55 g/mol
LogP3.55
Rot. Bonds7

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952101) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952101
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESO=C(NCCSCc1ccco1)C1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C19H22N4O2S2/c24-17(20-8-12-26-13-15-3-2-11-25-15)14-5-9-23(10-6-14)19-22-16-4-1-7-21-18(16)27-19/h1-4,7,11,14H,5-6,8-10,12-13H2,(H,20,24)
InChIKeyKKTVNSJRGQRTDT-UHFFFAOYSA-N
XLogP3.55
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952101) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is O=C(NCCSCc1ccco1)C1CCN(c2nc3cccnc3s2)CC1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is KKTVNSJRGQRTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c24-17(20-8-12-26-13-15-3-2-11-25-15)14-5-9-23(10-6-14)19-22-16-4-1-7-21-18(16)27-19/h1-4,7,11,14H,5-6,8-10,12-13H2,(H,20,24).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 402.55 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).