2-bromo-4-(oxan-3-yl)-1,3-thiazole

C8H10BrNOS — CID 115046257

IUPAC2-bromo-4-(oxan-3-yl)-1,3-thiazole
SMILESBrc1nc(C2CCCOC2)cs1
InChIInChI=1S/C8H10BrNOS/c9-8-10-7(5-12-8)6-2-1-3-11-4-6/h5-6H,1-4H2
InChIKeySNLADRDPGOTTMN-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.80
Rot. Bonds1

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

2-bromo-4-(oxan-3-yl)-1,3-thiazole (PubChem CID 115046257) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 2-bromo-4-(oxan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(oxan-3-yl)-1,3-thiazole
PubChem CID115046257
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name2-bromo-4-(oxan-3-yl)-1,3-thiazole
SMILESBrc1nc(C2CCCOC2)cs1
InChIInChI=1S/C8H10BrNOS/c9-8-10-7(5-12-8)6-2-1-3-11-4-6/h5-6H,1-4H2
InChIKeySNLADRDPGOTTMN-UHFFFAOYSA-N
XLogP2.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(oxan-3-yl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(oxan-3-yl)-1,3-thiazole (CID 115046257) is 2-bromo-4-(oxan-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(oxan-3-yl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(oxan-3-yl)-1,3-thiazole is Brc1nc(C2CCCOC2)cs1.
What is the InChIKey of 2-bromo-4-(oxan-3-yl)-1,3-thiazole?
The InChIKey is SNLADRDPGOTTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c9-8-10-7(5-12-8)6-2-1-3-11-4-6/h5-6H,1-4H2.
What are the key properties of 2-bromo-4-(oxan-3-yl)-1,3-thiazole?
2-bromo-4-(oxan-3-yl)-1,3-thiazole has a molecular weight of 248.14 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(oxan-3-yl)-1,3-thiazole is sourced from PubChem (CID 115046257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).