bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol

C16H11Cl2NOS — CID 4204275

IUPACbis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccns1
InChIInChI=1S/C16H11Cl2NOS/c17-13-5-1-11(2-6-13)16(20,15-9-10-19-21-15)12-3-7-14(18)8-4-12/h1-10,20H
InChIKeyODIXSVXECWIULF-UHFFFAOYSA-N
MW336.24 g/mol
LogP4.73
Rot. Bonds3

About bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol

bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 4204275) has the molecular formula C16H11Cl2NOS and a molecular weight of 336.24 g/mol. Its IUPAC name is bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Namebis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol
PubChem CID4204275
Molecular FormulaC16H11Cl2NOS
Molecular Weight336.24 g/mol
Exact Mass334.99
IUPAC Namebis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccns1
InChIInChI=1S/C16H11Cl2NOS/c17-13-5-1-11(2-6-13)16(20,15-9-10-19-21-15)12-3-7-14(18)8-4-12/h1-10,20H
InChIKeyODIXSVXECWIULF-UHFFFAOYSA-N
XLogP4.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol (CID 4204275) is bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol is OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccns1.
What is the InChIKey of bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is ODIXSVXECWIULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NOS/c17-13-5-1-11(2-6-13)16(20,15-9-10-19-21-15)12-3-7-14(18)8-4-12/h1-10,20H.
What are the key properties of bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol?
bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 336.24 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 4204275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).