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

C13H15BrN2OS — CID 131867449

IUPAC[4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(-c2nc(N(C)C)sc2CO)cc1Br
InChIInChI=1S/C13H15BrN2OS/c1-8-4-5-9(6-10(8)14)12-11(7-17)18-13(15-12)16(2)3/h4-6,17H,7H2,1-3H3
InChIKeyCUJSKLHKSSQXTD-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.44
Rot. Bonds3

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

[4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol (PubChem CID 131867449) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is [4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol
PubChem CID131867449
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name[4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(-c2nc(N(C)C)sc2CO)cc1Br
InChIInChI=1S/C13H15BrN2OS/c1-8-4-5-9(6-10(8)14)12-11(7-17)18-13(15-12)16(2)3/h4-6,17H,7H2,1-3H3
InChIKeyCUJSKLHKSSQXTD-UHFFFAOYSA-N
XLogP3.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol (CID 131867449) is [4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol is Cc1ccc(-c2nc(N(C)C)sc2CO)cc1Br.
What is the InChIKey of [4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol?
The InChIKey is CUJSKLHKSSQXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-8-4-5-9(6-10(8)14)12-11(7-17)18-13(15-12)16(2)3/h4-6,17H,7H2,1-3H3.
What are the key properties of [4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol?
[4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol has a molecular weight of 327.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-4-methylphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131867449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).