3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol

C12H12BrNOS — CID 82124643

IUPAC3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESOCCCc1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrNOS/c13-10-5-3-9(4-6-10)12-14-11(8-16-12)2-1-7-15/h3-6,8,15H,1-2,7H2
InChIKeyBMCHJJCQOBEQIQ-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.50
Rot. Bonds4

About 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol

3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol (PubChem CID 82124643) has the molecular formula C12H12BrNOS and a molecular weight of 298.20 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol
PubChem CID82124643
Molecular FormulaC12H12BrNOS
Molecular Weight298.20 g/mol
Exact Mass296.98
IUPAC Name3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol
SMILESOCCCc1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrNOS/c13-10-5-3-9(4-6-10)12-14-11(8-16-12)2-1-7-15/h3-6,8,15H,1-2,7H2
InChIKeyBMCHJJCQOBEQIQ-UHFFFAOYSA-N
XLogP3.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889140
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
3-[2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]ethyl]-4-hydroxypyrrole-2,5-dione
CID 70530067
3-[2-(1,3-benzoxazol-6-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889155
4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287449
3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 94275533
2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole
CID 19369885
3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889146
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
[4-(4-hexyl-1,3-thiazol-2-yl)phenyl]methanamine
CID 102625963
2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane
CID 145337663

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol?
The IUPAC name of 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol (CID 82124643) is 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol is OCCCc1csc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol?
The InChIKey is BMCHJJCQOBEQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c13-10-5-3-9(4-6-10)12-14-11(8-16-12)2-1-7-15/h3-6,8,15H,1-2,7H2.
What are the key properties of 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol?
3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol has a molecular weight of 298.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol is sourced from PubChem (CID 82124643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).