1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol

C7H8BrNOS — CID 114684364

IUPAC1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol
SMILESOC1(c2nc(Br)cs2)CCC1
InChIInChI=1S/C7H8BrNOS/c8-5-4-11-6(9-5)7(10)2-1-3-7/h4,10H,1-3H2
InChIKeyKMOOYUITWSRPPJ-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.28
Rot. Bonds1

About 1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol

1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol (PubChem CID 114684364) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol
PubChem CID114684364
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol
SMILESOC1(c2nc(Br)cs2)CCC1
InChIInChI=1S/C7H8BrNOS/c8-5-4-11-6(9-5)7(10)2-1-3-7/h4,10H,1-3H2
InChIKeyKMOOYUITWSRPPJ-UHFFFAOYSA-N
XLogP2.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol
CID 106874125
1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol
CID 114684314
7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 114684411
1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 114684453
4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole
CID 172916098
4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole
CID 151187913
4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-ol
CID 174748339
1-(4-bromothiophen-2-yl)cyclohexan-1-ol
CID 58591311
(5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine
CID 126736200
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutane-1-carboxylic acid
CID 116967030
2-(1-methoxycyclobutyl)-1,3-thiazole-4-carboxylic acid
CID 116705157
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol
CID 102633793

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol (CID 114684364) is 1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol is OC1(c2nc(Br)cs2)CCC1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol?
The InChIKey is KMOOYUITWSRPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c8-5-4-11-6(9-5)7(10)2-1-3-7/h4,10H,1-3H2.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol?
1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol has a molecular weight of 234.12 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 114684364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).