7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

C11H15BrN2OS — CID 114684411

IUPAC7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(c2nc(Br)cs2)CCN2CCCC2C1
InChIInChI=1S/C11H15BrN2OS/c12-9-7-16-10(13-9)11(15)3-5-14-4-1-2-8(14)6-11/h7-8,15H,1-6H2
InChIKeyORHSINCKNHJJGM-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.35
Rot. Bonds1

About 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (PubChem CID 114684411) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.

Molecular Properties

Compound Name7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
PubChem CID114684411
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(c2nc(Br)cs2)CCN2CCCC2C1
InChIInChI=1S/C11H15BrN2OS/c12-9-7-16-10(13-9)11(15)3-5-14-4-1-2-8(14)6-11/h7-8,15H,1-6H2
InChIKeyORHSINCKNHJJGM-UHFFFAOYSA-N
XLogP2.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol with MolForge

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Related Compounds

1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 114684453
1-(4-bromo-1,3-thiazol-2-yl)cyclobutan-1-ol
CID 114684364
1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol
CID 106874125
7-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 106971642
7-(1-methylpyrazol-3-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 103130263
2-(2,6-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 165347131
7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 114685294
(2R,9aS)-2-(3-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
CID 129396439
7-(furan-3-ylmethyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 83172564
ethane;7-(3-methyl-1H-indol-5-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 91314035
4-bromo-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-thiazole
CID 172916098
1-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylcyclohexan-1-ol
CID 141093200

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The IUPAC name of 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (CID 114684411) is 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.
What is the SMILES notation for 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The canonical SMILES for 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is OC1(c2nc(Br)cs2)CCN2CCCC2C1.
What is the InChIKey of 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The InChIKey is ORHSINCKNHJJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-9-7-16-10(13-9)11(15)3-5-14-4-1-2-8(14)6-11/h7-8,15H,1-6H2.
What are the key properties of 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol has a molecular weight of 303.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is sourced from PubChem (CID 114684411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).