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

C13H14BrNOS — CID 62800030

IUPAC1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2cccc(Br)c2)cs1
InChIInChI=1S/C13H14BrNOS/c1-9-15-12(8-17-9)7-13(16)6-10-3-2-4-11(14)5-10/h2-5,8,13,16H,6-7H2,1H3
InChIKeyFULGSXNJDKWSAU-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.36
Rot. Bonds4

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

1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 62800030) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID62800030
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2cccc(Br)c2)cs1
InChIInChI=1S/C13H14BrNOS/c1-9-15-12(8-17-9)7-13(16)6-10-3-2-4-11(14)5-10/h2-5,8,13,16H,6-7H2,1H3
InChIKeyFULGSXNJDKWSAU-UHFFFAOYSA-N
XLogP3.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
1-(3-bromophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798989
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
N-[2-(3-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105089526
1-(1-methylpyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 82869603
2-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 79443123
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 65321611
1-(3-bromophenyl)-4,4-dimethylpentan-2-ol
CID 63015862
3-[(3-bromophenyl)methyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109420849
1-(3-bromophenyl)-4-methylidenehexan-2-ol
CID 66045073

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 62800030) is 1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is Cc1nc(CC(O)Cc2cccc(Br)c2)cs1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is FULGSXNJDKWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-9-15-12(8-17-9)7-13(16)6-10-3-2-4-11(14)5-10/h2-5,8,13,16H,6-7H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 312.23 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 62800030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).