2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride

C10H15BrClNOS — CID 117228203

IUPAC2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(C)(c2ccc(Br)s2)N1.Cl
InChIInChI=1S/C10H14BrNOS.ClH/c1-9(2)6-13-10(3,12-9)7-4-5-8(11)14-7;/h4-5,12H,6H2,1-3H3;1H
InChIKeyYRDJVCWDQMFGRF-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.50
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride

2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride (PubChem CID 117228203) has the molecular formula C10H15BrClNOS and a molecular weight of 312.66 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride
PubChem CID117228203
Molecular FormulaC10H15BrClNOS
Molecular Weight312.66 g/mol
Exact Mass310.97
IUPAC Name2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(C)(c2ccc(Br)s2)N1.Cl
InChIInChI=1S/C10H14BrNOS.ClH/c1-9(2)6-13-10(3,12-9)7-4-5-8(11)14-7;/h4-5,12H,6H2,1-3H3;1H
InChIKeyYRDJVCWDQMFGRF-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.66
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromothiophen-2-yl)oxetan-3-amine
CID 116872629
[2-(5-bromothiophen-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82124205
2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117228171
[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanamine
CID 62708335
2-[(4-bromophenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228653
2-(2-methoxyphenyl)-2,4,4-trimethyl-1,3-oxazolidine
CID 117228515
methyl 2-[3-(5-bromothiophen-2-yl)oxetan-3-yl]butanoate
CID 116875458
[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methanol
CID 81357469
2-[3-(5-bromothiophen-2-yl)oxetan-3-yl]ethanethiol
CID 116872542
2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane
CID 117226749
1-[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62708531
3-[[3-(5-bromothiophen-2-yl)oxetan-3-yl]methyl]-1-methylpiperazine
CID 116874159

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride (CID 117228203) is 2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride is CC1(C)COC(C)(c2ccc(Br)s2)N1.Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride?
The InChIKey is YRDJVCWDQMFGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS.ClH/c1-9(2)6-13-10(3,12-9)7-4-5-8(11)14-7;/h4-5,12H,6H2,1-3H3;1H.
What are the key properties of 2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride?
2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride has a molecular weight of 312.66 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117228203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).