4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole

C9H10BrNS — CID 172916098

IUPAC4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole
SMILESCC12CC(c3nc(Br)cs3)(C1)C2
InChIInChI=1S/C9H10BrNS/c1-8-3-9(4-8,5-8)7-11-6(10)2-12-7/h2H,3-5H2,1H3
InChIKeyCEXQDPSJLUVSDR-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.35
Rot. Bonds1

About 4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole

4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole (PubChem CID 172916098) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is 4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole
PubChem CID172916098
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole
SMILESCC12CC(c3nc(Br)cs3)(C1)C2
InChIInChI=1S/C9H10BrNS/c1-8-3-9(4-8,5-8)7-11-6(10)2-12-7/h2H,3-5H2,1H3
InChIKeyCEXQDPSJLUVSDR-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole (CID 172916098) is 4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole is CC12CC(c3nc(Br)cs3)(C1)C2.
What is the InChIKey of 4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole?
The InChIKey is CEXQDPSJLUVSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c1-8-3-9(4-8,5-8)7-11-6(10)2-12-7/h2H,3-5H2,1H3.
What are the key properties of 4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole?
4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole has a molecular weight of 244.16 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole is sourced from PubChem (CID 172916098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).