N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide

C15H13BrClN5OS — CID 133270039

IUPACN-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide
SMILESN#Cc1c(Cl)nsc1N1CCCC(C(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C15H13BrClN5OS/c16-10-3-4-12(19-7-10)20-14(23)9-2-1-5-22(8-9)15-11(6-18)13(17)21-24-15/h3-4,7,9H,1-2,5,8H2,(H,19,20,23)
InChIKeyAEDMEKBSQIBPFS-UHFFFAOYSA-N
MW426.73 g/mol
LogP3.68
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide (PubChem CID 133270039) has the molecular formula C15H13BrClN5OS and a molecular weight of 426.73 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide
PubChem CID133270039
Molecular FormulaC15H13BrClN5OS
Molecular Weight426.73 g/mol
Exact Mass424.97
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide
SMILESN#Cc1c(Cl)nsc1N1CCCC(C(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C15H13BrClN5OS/c16-10-3-4-12(19-7-10)20-14(23)9-2-1-5-22(8-9)15-11(6-18)13(17)21-24-15/h3-4,7,9H,1-2,5,8H2,(H,19,20,23)
InChIKeyAEDMEKBSQIBPFS-UHFFFAOYSA-N
XLogP3.68
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.73
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide
CID 133319063
N-(5-chloro-2-pyridinyl)-1-(5-cyanopyrazin-2-yl)piperidine-3-carboxamide
CID 133291293
(3S)-N-(5-bromo-2-pyridinyl)-1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidine-3-carboxamide
CID 51961148
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
methyl 2-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444413
N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119856404
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804
N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 55816046
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133390666
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133359806

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide (CID 133270039) is N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide is N#Cc1c(Cl)nsc1N1CCCC(C(=O)Nc2ccc(Br)cn2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide?
The InChIKey is AEDMEKBSQIBPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN5OS/c16-10-3-4-12(19-7-10)20-14(23)9-2-1-5-22(8-9)15-11(6-18)13(17)21-24-15/h3-4,7,9H,1-2,5,8H2,(H,19,20,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide has a molecular weight of 426.73 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 133270039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).