5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole

C9H13BrN2S — CID 58293759

IUPAC5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCN1CCC(c2ncc(Br)s2)CC1
InChIInChI=1S/C9H13BrN2S/c1-12-4-2-7(3-5-12)9-11-6-8(10)13-9/h6-7H,2-5H2,1H3
InChIKeySKNBEBDZSWFSCD-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.71
Rot. Bonds1

About 5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole

5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole (PubChem CID 58293759) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole
PubChem CID58293759
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCN1CCC(c2ncc(Br)s2)CC1
InChIInChI=1S/C9H13BrN2S/c1-12-4-2-7(3-5-12)9-11-6-8(10)13-9/h6-7H,2-5H2,1H3
InChIKeySKNBEBDZSWFSCD-UHFFFAOYSA-N
XLogP2.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole (CID 58293759) is 5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole is CN1CCC(c2ncc(Br)s2)CC1.
What is the InChIKey of 5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The InChIKey is SKNBEBDZSWFSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-12-4-2-7(3-5-12)9-11-6-8(10)13-9/h6-7H,2-5H2,1H3.
What are the key properties of 5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole has a molecular weight of 261.19 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methylpiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 58293759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).