2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol

C14H16BrNOS — CID 79454525

IUPAC2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ncsc1CCC(CO)c1ccccc1Br
InChIInChI=1S/C14H16BrNOS/c1-10-14(18-9-16-10)7-6-11(8-17)12-4-2-3-5-13(12)15/h2-5,9,11,17H,6-8H2,1H3
InChIKeyOZUHLYWMRVRPAF-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.92
Rot. Bonds5

About 2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol

2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol (PubChem CID 79454525) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
PubChem CID79454525
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ncsc1CCC(CO)c1ccccc1Br
InChIInChI=1S/C14H16BrNOS/c1-10-14(18-9-16-10)7-6-11(8-17)12-4-2-3-5-13(12)15/h2-5,9,11,17H,6-8H2,1H3
InChIKeyOZUHLYWMRVRPAF-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66060380
1-(2-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55259223
2-(3-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79443219
2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66058492
2-(2-bromophenyl)-6-methylheptan-1-ol
CID 83168026
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 63837367
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
2-(2-bromophenyl)-4-tert-butylsulfonylbutan-1-ol
CID 106734419
5-[4-chloro-3-(3-methylphenyl)butyl]-4-methyl-1,3-thiazole
CID 79423423
5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole
CID 61373558
2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79442661

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The IUPAC name of 2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol (CID 79454525) is 2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol is Cc1ncsc1CCC(CO)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The InChIKey is OZUHLYWMRVRPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10-14(18-9-16-10)7-6-11(8-17)12-4-2-3-5-13(12)15/h2-5,9,11,17H,6-8H2,1H3.
What are the key properties of 2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol has a molecular weight of 326.26 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 79454525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).