(2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone

C9H10BrFN2OS — CID 67111015

IUPAC(2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1cnc(Br)s1)N1CCC(F)CC1
InChIInChI=1S/C9H10BrFN2OS/c10-9-12-5-7(15-9)8(14)13-3-1-6(11)2-4-13/h5-6H,1-4H2
InChIKeyBWGSHXFPYJMQJM-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.48
Rot. Bonds1

About (2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone

(2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone (PubChem CID 67111015) has the molecular formula C9H10BrFN2OS and a molecular weight of 293.16 g/mol. Its IUPAC name is (2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone
PubChem CID67111015
Molecular FormulaC9H10BrFN2OS
Molecular Weight293.16 g/mol
Exact Mass291.97
IUPAC Name(2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1cnc(Br)s1)N1CCC(F)CC1
InChIInChI=1S/C9H10BrFN2OS/c10-9-12-5-7(15-9)8(14)13-3-1-6(11)2-4-13/h5-6H,1-4H2
InChIKeyBWGSHXFPYJMQJM-UHFFFAOYSA-N
XLogP2.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone (CID 67111015) is (2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone is O=C(c1cnc(Br)s1)N1CCC(F)CC1.
What is the InChIKey of (2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is BWGSHXFPYJMQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2OS/c10-9-12-5-7(15-9)8(14)13-3-1-6(11)2-4-13/h5-6H,1-4H2.
What are the key properties of (2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone?
(2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 293.16 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,3-thiazol-5-yl)-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 67111015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).