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

C16H20BrNOS — CID 79819846

IUPAC2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)(C)c1csc(CC(C)(O)c2ccc(Br)cc2)n1
InChIInChI=1S/C16H20BrNOS/c1-15(2,3)13-10-20-14(18-13)9-16(4,19)11-5-7-12(17)8-6-11/h5-8,10,19H,9H2,1-4H3
InChIKeyAJDTZSWUGVUEJE-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.65
Rot. Bonds3

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

2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 79819846) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID79819846
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)(C)c1csc(CC(C)(O)c2ccc(Br)cc2)n1
InChIInChI=1S/C16H20BrNOS/c1-15(2,3)13-10-20-14(18-13)9-16(4,19)11-5-7-12(17)8-6-11/h5-8,10,19H,9H2,1-4H3
InChIKeyAJDTZSWUGVUEJE-UHFFFAOYSA-N
XLogP4.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol (CID 79819846) is 2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol is CC(C)(C)c1csc(CC(C)(O)c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is AJDTZSWUGVUEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-15(2,3)13-10-20-14(18-13)9-16(4,19)11-5-7-12(17)8-6-11/h5-8,10,19H,9H2,1-4H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol?
2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 354.31 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 79819846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).