bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol

C19H12Br2N2OS2 — CID 18949045

IUPACbis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol
SMILESOC(c1sncc1-c1ccc(Br)cc1)c1sncc1-c1ccc(Br)cc1
InChIInChI=1S/C19H12Br2N2OS2/c20-13-5-1-11(2-6-13)15-9-22-25-18(15)17(24)19-16(10-23-26-19)12-3-7-14(21)8-4-12/h1-10,17,24H
InChIKeyVSPCECZNDBCBLV-UHFFFAOYSA-N
MW508.26 g/mol
LogP6.54
Rot. Bonds4

About bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol

bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol (PubChem CID 18949045) has the molecular formula C19H12Br2N2OS2 and a molecular weight of 508.26 g/mol. Its IUPAC name is bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol.

Molecular Properties

Compound Namebis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol
PubChem CID18949045
Molecular FormulaC19H12Br2N2OS2
Molecular Weight508.26 g/mol
Exact Mass505.88
IUPAC Namebis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol
SMILESOC(c1sncc1-c1ccc(Br)cc1)c1sncc1-c1ccc(Br)cc1
InChIInChI=1S/C19H12Br2N2OS2/c20-13-5-1-11(2-6-13)15-9-22-25-18(15)17(24)19-16(10-23-26-19)12-3-7-14(21)8-4-12/h1-10,17,24H
InChIKeyVSPCECZNDBCBLV-UHFFFAOYSA-N
XLogP6.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.26
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol?
The IUPAC name of bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol (CID 18949045) is bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol.
What is the SMILES notation for bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol?
The canonical SMILES for bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol is OC(c1sncc1-c1ccc(Br)cc1)c1sncc1-c1ccc(Br)cc1.
What is the InChIKey of bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol?
The InChIKey is VSPCECZNDBCBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2N2OS2/c20-13-5-1-11(2-6-13)15-9-22-25-18(15)17(24)19-16(10-23-26-19)12-3-7-14(21)8-4-12/h1-10,17,24H.
What are the key properties of bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol?
bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol has a molecular weight of 508.26 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-bromophenyl)-1,2-thiazol-5-yl]methanol is sourced from PubChem (CID 18949045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).