2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol

C10H12BrNOS — CID 130526092

IUPAC2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol
SMILESOC1(c2scnc2Br)CCCC2CC21
InChIInChI=1S/C10H12BrNOS/c11-9-8(14-5-12-9)10(13)3-1-2-6-4-7(6)10/h5-7,13H,1-4H2
InChIKeyWYTVREJZUVZDTO-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.91
Rot. Bonds1

About 2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol

2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol (PubChem CID 130526092) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol
PubChem CID130526092
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol
SMILESOC1(c2scnc2Br)CCCC2CC21
InChIInChI=1S/C10H12BrNOS/c11-9-8(14-5-12-9)10(13)3-1-2-6-4-7(6)10/h5-7,13H,1-4H2
InChIKeyWYTVREJZUVZDTO-UHFFFAOYSA-N
XLogP2.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol
CID 126981803
2-quinolin-3-ylbicyclo[4.1.0]heptan-2-ol
CID 112740410
(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
CID 10567298
(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol
CID 10564133
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
[4-(4-bromo-1,3-thiazol-5-yl)-4-hydroxypiperidin-1-yl]-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
CID 100652586
3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one
CID 114102823
2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid
CID 107431950
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
2-(5-methylthiophen-2-yl)bicyclo[3.1.0]hexan-2-ol
CID 130526016

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol?
The IUPAC name of 2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol (CID 130526092) is 2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol is OC1(c2scnc2Br)CCCC2CC21.
What is the InChIKey of 2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol?
The InChIKey is WYTVREJZUVZDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c11-9-8(14-5-12-9)10(13)3-1-2-6-4-7(6)10/h5-7,13H,1-4H2.
What are the key properties of 2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol?
2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol has a molecular weight of 274.18 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 2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 130526092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).