4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide

C15H17BrN4OS — CID 8983107

IUPAC4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C\c1ccc(N2CCCCC2)s1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H17BrN4OS/c16-11-8-13(17-9-11)15(21)19-18-10-12-4-5-14(22-12)20-6-2-1-3-7-20/h4-5,8-10,17H,1-3,6-7H2,(H,19,21)/b18-10-
InChIKeyCTOOSOSOIVKQOF-ZDLGFXPLSA-N
MW381.30 g/mol
LogP3.59
Rot. Bonds4

About 4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide

4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 8983107) has the molecular formula C15H17BrN4OS and a molecular weight of 381.30 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID8983107
Molecular FormulaC15H17BrN4OS
Molecular Weight381.30 g/mol
Exact Mass380.03
IUPAC Name4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide
SMILESO=C(N/N=C\c1ccc(N2CCCCC2)s1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H17BrN4OS/c16-11-8-13(17-9-11)15(21)19-18-10-12-4-5-14(22-12)20-6-2-1-3-7-20/h4-5,8-10,17H,1-3,6-7H2,(H,19,21)/b18-10-
InChIKeyCTOOSOSOIVKQOF-ZDLGFXPLSA-N
XLogP3.59
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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
2-methyl-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 9359487
3-ethyl-4-oxo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]phthalazine-1-carboxamide
CID 9462786
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
CID 2354777
N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6902069
2-(4-chlorophenoxy)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 9358609
2-(benzenesulfonamido)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 9237380
3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6911488
2-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]guanidine
CID 42914743
4-bromo-N-[(E)-(3,4-dihydroxy-5-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846615
4-bromo-N-(cyclopentylideneamino)-1H-pyrrole-2-carboxamide
CID 8982527

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide (CID 8983107) is 4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide is O=C(N/N=C\c1ccc(N2CCCCC2)s1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is CTOOSOSOIVKQOF-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H17BrN4OS/c16-11-8-13(17-9-11)15(21)19-18-10-12-4-5-14(22-12)20-6-2-1-3-7-20/h4-5,8-10,17H,1-3,6-7H2,(H,19,21)/b18-10-.
What are the key properties of 4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 8983107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).