2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol

C18H17NOS — CID 22633505

IUPAC2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol
SMILESCc1sc(-c2ccc(-c3ccccc3)cc2)nc1CCO
InChIInChI=1S/C18H17NOS/c1-13-17(11-12-20)19-18(21-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3
InChIKeyQGRQOPJNQYESQC-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.32
Rot. Bonds4

About 2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol

2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 22633505) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol
PubChem CID22633505
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol
SMILESCc1sc(-c2ccc(-c3ccccc3)cc2)nc1CCO
InChIInChI=1S/C18H17NOS/c1-13-17(11-12-20)19-18(21-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3
InChIKeyQGRQOPJNQYESQC-UHFFFAOYSA-N
XLogP4.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol (CID 22633505) is 2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol is Cc1sc(-c2ccc(-c3ccccc3)cc2)nc1CCO.
What is the InChIKey of 2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is QGRQOPJNQYESQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-13-17(11-12-20)19-18(21-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3.
What are the key properties of 2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol?
2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 295.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 22633505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).