2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide

C16H19N3O2S — CID 9359487

IUPAC2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccc(N2CCCCC2)s1
InChIInChI=1S/C16H19N3O2S/c1-12-14(7-10-21-12)16(20)18-17-11-13-5-6-15(22-13)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,18,20)/b17-11-
InChIKeyAXEHGBNXVFMTAI-BOPFTXTBSA-N
MW317.41 g/mol
LogP3.40
Rot. Bonds4

About 2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide

2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide (PubChem CID 9359487) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide
PubChem CID9359487
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccc(N2CCCCC2)s1
InChIInChI=1S/C16H19N3O2S/c1-12-14(7-10-21-12)16(20)18-17-11-13-5-6-15(22-13)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,18,20)/b17-11-
InChIKeyAXEHGBNXVFMTAI-BOPFTXTBSA-N
XLogP3.40
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6886797
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5395064
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 110211053
4-chloro-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9060165
3,5-dimethoxy-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]benzamide
CID 9460693
4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8983107
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136672376
3-ethyl-4-oxo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]phthalazine-1-carboxamide
CID 9462786
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9147614
2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 9237380

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide (CID 9359487) is 2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C\c1ccc(N2CCCCC2)s1.
What is the InChIKey of 2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide?
The InChIKey is AXEHGBNXVFMTAI-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-14(7-10-21-12)16(20)18-17-11-13-5-6-15(22-13)19-8-3-2-4-9-19/h5-7,10-11H,2-4,8-9H2,1H3,(H,18,20)/b17-11-.
What are the key properties of 2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide?
2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 9359487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).