N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

C15H16ClFN4OS — CID 165124509

IUPACN-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1nccs1)c1cc(Cl)ncc1F)C1CCNCC1
InChIInChI=1S/C15H16ClFN4OS/c16-12-7-10(11(17)8-20-12)13(15-19-5-6-23-15)21-14(22)9-1-3-18-4-2-9/h5-9,13,18H,1-4H2,(H,21,22)
InChIKeyFRVIBJBQMUJEJB-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.54
Rot. Bonds4

About N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide

N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 165124509) has the molecular formula C15H16ClFN4OS and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID165124509
Molecular FormulaC15H16ClFN4OS
Molecular Weight354.84 g/mol
Exact Mass354.07
IUPAC NameN-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1nccs1)c1cc(Cl)ncc1F)C1CCNCC1
InChIInChI=1S/C15H16ClFN4OS/c16-12-7-10(11(17)8-20-12)13(15-19-5-6-23-15)21-14(22)9-1-3-18-4-2-9/h5-9,13,18H,1-4H2,(H,21,22)
InChIKeyFRVIBJBQMUJEJB-UHFFFAOYSA-N
XLogP2.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide (CID 165124509) is N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is O=C(NC(c1nccs1)c1cc(Cl)ncc1F)C1CCNCC1.
What is the InChIKey of N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FRVIBJBQMUJEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4OS/c16-12-7-10(11(17)8-20-12)13(15-19-5-6-23-15)21-14(22)9-1-3-18-4-2-9/h5-9,13,18H,1-4H2,(H,21,22).
What are the key properties of N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide?
N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluoro-4-pyridinyl)-(1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 165124509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).