1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C10H13BrN2OS — CID 114684453

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(c2nc(Br)cs2)CCN2CCCC21
InChIInChI=1S/C10H13BrN2OS/c11-8-6-15-9(12-8)10(14)3-5-13-4-1-2-7(10)13/h6-7,14H,1-5H2
InChIKeyRIJFUCUOUVEMQE-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.96
Rot. Bonds1

About 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 114684453) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID114684453
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(c2nc(Br)cs2)CCN2CCCC21
InChIInChI=1S/C10H13BrN2OS/c11-8-6-15-9(12-8)10(14)3-5-13-4-1-2-7(10)13/h6-7,14H,1-5H2
InChIKeyRIJFUCUOUVEMQE-UHFFFAOYSA-N
XLogP1.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol with MolForge

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Related Compounds

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)cyclobutan-1-ol
CID 114684364
1-(4-bromo-1-methylpyrazol-5-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 114637955
1-(4-bromo-1,3-thiazol-2-yl)-3-methylcyclopentan-1-ol
CID 114684314
1-(5-chlorothiophen-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856499
1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol
CID 106874125
1-(2-propylpyrazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82857251
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 114637837
1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856639
1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856640
1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 107512350
1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 20569063

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 114684453) is 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC1(c2nc(Br)cs2)CCN2CCCC21.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is RIJFUCUOUVEMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c11-8-6-15-9(12-8)10(14)3-5-13-4-1-2-7(10)13/h6-7,14H,1-5H2.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 289.20 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 114684453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).