N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide

C9H12BrN3OS — CID 87406147

IUPACN-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(Br)cs1)C1CCNCC1
InChIInChI=1S/C9H12BrN3OS/c10-7-5-15-9(12-7)13-8(14)6-1-3-11-4-2-6/h5-6,11H,1-4H2,(H,12,13,14)
InChIKeyVSRJHJFQPAVJRN-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.84
Rot. Bonds2

About N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide

N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 87406147) has the molecular formula C9H12BrN3OS and a molecular weight of 290.19 g/mol. Its IUPAC name is N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID87406147
Molecular FormulaC9H12BrN3OS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC NameN-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(Br)cs1)C1CCNCC1
InChIInChI=1S/C9H12BrN3OS/c10-7-5-15-9(12-7)13-8(14)6-1-3-11-4-2-6/h5-6,11H,1-4H2,(H,12,13,14)
InChIKeyVSRJHJFQPAVJRN-UHFFFAOYSA-N
XLogP1.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 87406147) is N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nc(Br)cs1)C1CCNCC1.
What is the InChIKey of N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is VSRJHJFQPAVJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3OS/c10-7-5-15-9(12-7)13-8(14)6-1-3-11-4-2-6/h5-6,11H,1-4H2,(H,12,13,14).
What are the key properties of N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide?
N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 290.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 87406147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).