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

C9H12BrNOS — CID 114684314

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(c2nc(Br)cs2)C1
InChIInChI=1S/C9H12BrNOS/c1-6-2-3-9(12,4-6)8-11-7(10)5-13-8/h5-6,12H,2-4H2,1H3
InChIKeyFMRUVEDMYZGBIS-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.91
Rot. Bonds1

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

1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol (PubChem CID 114684314) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol
PubChem CID114684314
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(c2nc(Br)cs2)C1
InChIInChI=1S/C9H12BrNOS/c1-6-2-3-9(12,4-6)8-11-7(10)5-13-8/h5-6,12H,2-4H2,1H3
InChIKeyFMRUVEDMYZGBIS-UHFFFAOYSA-N
XLogP2.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.91
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)cyclobutan-1-ol
CID 114684364
7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 114684411
3-methyl-1-thiophen-2-ylcyclopentan-1-ol
CID 64513369
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-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazol-2-amine
CID 79400117
1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol
CID 64516207
3-methyl-1-(1-methylpyrazol-4-yl)cyclopentan-1-ol
CID 64513375
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclopentan-1-amine
CID 64515479
4-bromo-2-(3-methoxyoxolan-3-yl)-1,3-thiazole
CID 151187913
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
CID 65147574

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol (CID 114684314) is 1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol is CC1CCC(O)(c2nc(Br)cs2)C1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol?
The InChIKey is FMRUVEDMYZGBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-6-2-3-9(12,4-6)8-11-7(10)5-13-8/h5-6,12H,2-4H2,1H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol?
1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol has a molecular weight of 262.17 g/mol, XLogP of 2.91, 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)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 114684314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).