[2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol

C14H16BrNOS — CID 131867649

IUPAC[2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol
SMILESCCCCc1ccc(-c2nc(Br)sc2CO)cc1
InChIInChI=1S/C14H16BrNOS/c1-2-3-4-10-5-7-11(8-6-10)13-12(9-17)18-14(15)16-13/h5-8,17H,2-4,9H2,1H3
InChIKeyTZAMGOAMHXRAAW-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.41
Rot. Bonds5

About [2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol

[2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 131867649) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is [2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID131867649
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name[2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol
SMILESCCCCc1ccc(-c2nc(Br)sc2CO)cc1
InChIInChI=1S/C14H16BrNOS/c1-2-3-4-10-5-7-11(8-6-10)13-12(9-17)18-14(15)16-13/h5-8,17H,2-4,9H2,1H3
InChIKeyTZAMGOAMHXRAAW-UHFFFAOYSA-N
XLogP4.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
4-bromo-5-[4-bromo-2-(4-octylphenyl)-1,3-thiazol-5-yl]-2-(4-octylphenyl)-1,3-thiazole
CID 122363279
5,8-dibromo-2-(4-butoxyphenyl)-3-(4-butylphenyl)quinoxaline
CID 71294579
2-(4-butylphenyl)-5-(4-heptylphenyl)-1,3,4-thiadiazole
CID 101033956
3,4-bis(4-butylphenyl)pyridazine
CID 54478230
2-bromo-5-ethyl-4-phenyl-1,3-thiazole
CID 68778379
[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961469
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
3-[4-(4-butylphenyl)phenyl]-2,5,6-trifluoropyridine
CID 23190501
2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine
CID 59488717
2,4,6-tris[5-(4-butylphenyl)thiophen-2-yl]pyrimidine
CID 122204785
4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
CID 59682229

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol (CID 131867649) is [2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol is CCCCc1ccc(-c2nc(Br)sc2CO)cc1.
What is the InChIKey of [2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is TZAMGOAMHXRAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-2-3-4-10-5-7-11(8-6-10)13-12(9-17)18-14(15)16-13/h5-8,17H,2-4,9H2,1H3.
What are the key properties of [2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol?
[2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 326.26 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131867649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).