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

C14H16BrNOS — CID 116891373

IUPAC2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrNOS/c1-9(2)12(7-17)13-8-18-14(16-13)10-4-3-5-11(15)6-10/h3-6,8-9,12,17H,7H2,1-2H3
InChIKeyVUKIMECYGCAJKP-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.30
Rot. Bonds4

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

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol (PubChem CID 116891373) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol
PubChem CID116891373
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrNOS/c1-9(2)12(7-17)13-8-18-14(16-13)10-4-3-5-11(15)6-10/h3-6,8-9,12,17H,7H2,1-2H3
InChIKeyVUKIMECYGCAJKP-UHFFFAOYSA-N
XLogP4.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891362
3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891375
(2R)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylpentanoic acid
CID 161429755
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
CID 116891841
2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511692
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanethiol
CID 116889576
1-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropan-2-amine
CID 116888250
2-amino-2-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116886706
3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891359
3-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylamino]-N-propan-2-ylpropanamide
CID 119111004
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
(2S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-tert-butyl-4-oxopentanoic acid
CID 160626807

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol?
The IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol (CID 116891373) is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol is CC(C)C(CO)c1csc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol?
The InChIKey is VUKIMECYGCAJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-9(2)12(7-17)13-8-18-14(16-13)10-4-3-5-11(15)6-10/h3-6,8-9,12,17H,7H2,1-2H3.
What are the key properties of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol?
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol has a molecular weight of 326.26 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 116891373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).