N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide

C22H24N6O5S — CID 87218324

IUPACN-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(N2CCOCC2)s1)C1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C22H24N6O5S/c29-20(15-5-8-26(9-6-15)19-16(28(30)31)3-1-7-23-19)25-22-24-18(17-4-2-12-33-17)21(34-22)27-10-13-32-14-11-27/h1-4,7,12,15H,5-6,8-11,13-14H2,(H,24,25,29)
InChIKeyHJBGGKWQVFNNDG-UHFFFAOYSA-N
MW484.54 g/mol
LogP3.40
Rot. Bonds6

About N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide

N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 87218324) has the molecular formula C22H24N6O5S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID87218324
Molecular FormulaC22H24N6O5S
Molecular Weight484.54 g/mol
Exact Mass484.15
IUPAC NameN-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(N2CCOCC2)s1)C1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C22H24N6O5S/c29-20(15-5-8-26(9-6-15)19-16(28(30)31)3-1-7-23-19)25-22-24-18(17-4-2-12-33-17)21(34-22)27-10-13-32-14-11-27/h1-4,7,12,15H,5-6,8-11,13-14H2,(H,24,25,29)
InChIKeyHJBGGKWQVFNNDG-UHFFFAOYSA-N
XLogP3.40
TPSA126.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide (CID 87218324) is N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(N2CCOCC2)s1)C1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is HJBGGKWQVFNNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O5S/c29-20(15-5-8-26(9-6-15)19-16(28(30)31)3-1-7-23-19)25-22-24-18(17-4-2-12-33-17)21(34-22)27-10-13-32-14-11-27/h1-4,7,12,15H,5-6,8-11,13-14H2,(H,24,25,29).
What are the key properties of N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide?
N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-morpholin-4-yl-1,3-thiazol-2-yl]-1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 87218324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).