2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol

C12H14BrNOS2 — CID 116967341

IUPAC2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1nc(-c2cc(Br)cs2)cs1
InChIInChI=1S/C12H14BrNOS2/c1-7(2)9(4-15)12-14-10(6-17-12)11-3-8(13)5-16-11/h3,5-7,9,15H,4H2,1-2H3
InChIKeyWMRKPMYPIGLHAO-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.37
Rot. Bonds4

About 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol

2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol (PubChem CID 116967341) has the molecular formula C12H14BrNOS2 and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol
PubChem CID116967341
Molecular FormulaC12H14BrNOS2
Molecular Weight332.29 g/mol
Exact Mass330.97
IUPAC Name2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1nc(-c2cc(Br)cs2)cs1
InChIInChI=1S/C12H14BrNOS2/c1-7(2)9(4-15)12-14-10(6-17-12)11-3-8(13)5-16-11/h3,5-7,9,15H,4H2,1-2H3
InChIKeyWMRKPMYPIGLHAO-UHFFFAOYSA-N
XLogP4.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 107354708
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967334
3-methyl-2-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967340
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]ethanethiol
CID 116965991
3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891359
4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 107354715
2-[4-(4-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]butan-1-ol
CID 116896380
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967248
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol
CID 136849095
2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
CID 97353571
4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole
CID 116968611
5-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116705248

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol?
The IUPAC name of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol (CID 116967341) is 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol is CC(C)C(CO)c1nc(-c2cc(Br)cs2)cs1.
What is the InChIKey of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol?
The InChIKey is WMRKPMYPIGLHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS2/c1-7(2)9(4-15)12-14-10(6-17-12)11-3-8(13)5-16-11/h3,5-7,9,15H,4H2,1-2H3.
What are the key properties of 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol?
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol has a molecular weight of 332.29 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 116967341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).