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

C9H12BrN3OS — CID 54577221

IUPAC1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C9H12BrN3OS/c10-7-5-15-9(12-7)13-3-1-6(2-4-13)8(11)14/h5-6H,1-4H2,(H2,11,14)
InChIKeyNEPQTVXDRWJSMP-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.61
Rot. Bonds2

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

1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 54577221) has the molecular formula C9H12BrN3OS and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID54577221
Molecular FormulaC9H12BrN3OS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C9H12BrN3OS/c10-7-5-15-9(12-7)13-3-1-6(2-4-13)8(11)14/h5-6H,1-4H2,(H2,11,14)
InChIKeyNEPQTVXDRWJSMP-UHFFFAOYSA-N
XLogP1.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 54577221) is 1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is NEPQTVXDRWJSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3OS/c10-7-5-15-9(12-7)13-3-1-6(2-4-13)8(11)14/h5-6H,1-4H2,(H2,11,14).
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 290.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 54577221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).