4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

C9H11BrN2O2S — CID 66867991

IUPAC4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncc(Br)s2)CC1
InChIInChI=1S/C9H11BrN2O2S/c10-7-5-11-8(15-7)6-1-3-12(4-2-6)9(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyUQPMULSEDNKVSK-UHFFFAOYSA-N
MW291.17 g/mol
LogP2.76
Rot. Bonds1

About 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (PubChem CID 66867991) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
PubChem CID66867991
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncc(Br)s2)CC1
InChIInChI=1S/C9H11BrN2O2S/c10-7-5-11-8(15-7)6-1-3-12(4-2-6)9(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyUQPMULSEDNKVSK-UHFFFAOYSA-N
XLogP2.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (CID 66867991) is 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ncc(Br)s2)CC1.
What is the InChIKey of 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is UQPMULSEDNKVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c10-7-5-11-8(15-7)6-1-3-12(4-2-6)9(13)14/h5-6H,1-4H2,(H,13,14).
What are the key properties of 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 291.17 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 66867991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).