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

C7H8BrNOS — CID 104756423

IUPAC2-bromo-4-(oxolan-3-yl)-1,3-thiazole
SMILESBrc1nc(C2CCOC2)cs1
InChIInChI=1S/C7H8BrNOS/c8-7-9-6(4-11-7)5-1-2-10-3-5/h4-5H,1-3H2
InChIKeyICWAJOGZWAAXFI-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.41
Rot. Bonds1

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

2-bromo-4-(oxolan-3-yl)-1,3-thiazole (PubChem CID 104756423) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 2-bromo-4-(oxolan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(oxolan-3-yl)-1,3-thiazole
PubChem CID104756423
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name2-bromo-4-(oxolan-3-yl)-1,3-thiazole
SMILESBrc1nc(C2CCOC2)cs1
InChIInChI=1S/C7H8BrNOS/c8-7-9-6(4-11-7)5-1-2-10-3-5/h4-5H,1-3H2
InChIKeyICWAJOGZWAAXFI-UHFFFAOYSA-N
XLogP2.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(oxolan-3-yl)-1,3-thiazol-2-yl]hydrazine
CID 104752360
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
N-tert-butyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104744208
2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole
CID 90202215
4-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 104749835
N-(2-methylpropyl)-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693354
3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 120581948
2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole
CID 122142392
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 104749809

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(oxolan-3-yl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(oxolan-3-yl)-1,3-thiazole (CID 104756423) is 2-bromo-4-(oxolan-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(oxolan-3-yl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(oxolan-3-yl)-1,3-thiazole is Brc1nc(C2CCOC2)cs1.
What is the InChIKey of 2-bromo-4-(oxolan-3-yl)-1,3-thiazole?
The InChIKey is ICWAJOGZWAAXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c8-7-9-6(4-11-7)5-1-2-10-3-5/h4-5H,1-3H2.
What are the key properties of 2-bromo-4-(oxolan-3-yl)-1,3-thiazole?
2-bromo-4-(oxolan-3-yl)-1,3-thiazole has a molecular weight of 234.12 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(oxolan-3-yl)-1,3-thiazole is sourced from PubChem (CID 104756423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).