5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole

C8H10BrNOS — CID 58456188

IUPAC5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole
SMILESCOC1(c2ncc(Br)s2)CCC1
InChIInChI=1S/C8H10BrNOS/c1-11-8(3-2-4-8)7-10-5-6(9)12-7/h5H,2-4H2,1H3
InChIKeyVOHDNFANZRZCPC-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.93
Rot. Bonds2

About 5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole

5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole (PubChem CID 58456188) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole
PubChem CID58456188
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole
SMILESCOC1(c2ncc(Br)s2)CCC1
InChIInChI=1S/C8H10BrNOS/c1-11-8(3-2-4-8)7-10-5-6(9)12-7/h5H,2-4H2,1H3
InChIKeyVOHDNFANZRZCPC-UHFFFAOYSA-N
XLogP2.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.93
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-methoxycyclobutyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole (CID 58456188) is 5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole is COC1(c2ncc(Br)s2)CCC1.
What is the InChIKey of 5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole?
The InChIKey is VOHDNFANZRZCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-11-8(3-2-4-8)7-10-5-6(9)12-7/h5H,2-4H2,1H3.
What are the key properties of 5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole?
5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole has a molecular weight of 248.14 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxycyclobutyl)-1,3-thiazole is sourced from PubChem (CID 58456188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).