ethane;2-phenylethanol;1,3-thiazole

C13H19NOS — CID 144736579

IUPACethane;2-phenylethanol;1,3-thiazole
SMILESCC.OCCc1ccccc1.c1cscn1
InChIInChI=1S/C8H10O.C3H3NS.C2H6/c9-7-6-8-4-2-1-3-5-8;1-2-5-3-4-1;1-2/h1-5,9H,6-7H2;1-3H;1-2H3
InChIKeyCAGXNTMGAHNVLW-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.39
Rot. Bonds2

About ethane;2-phenylethanol;1,3-thiazole

ethane;2-phenylethanol;1,3-thiazole (PubChem CID 144736579) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is ethane;2-phenylethanol;1,3-thiazole.

Molecular Properties

Compound Nameethane;2-phenylethanol;1,3-thiazole
PubChem CID144736579
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Nameethane;2-phenylethanol;1,3-thiazole
SMILESCC.OCCc1ccccc1.c1cscn1
InChIInChI=1S/C8H10O.C3H3NS.C2H6/c9-7-6-8-4-2-1-3-5-8;1-2-5-3-4-1;1-2/h1-5,9H,6-7H2;1-3H;1-2H3
InChIKeyCAGXNTMGAHNVLW-UHFFFAOYSA-N
XLogP3.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-phenylethanol;1,3-thiazole?
The IUPAC name of ethane;2-phenylethanol;1,3-thiazole (CID 144736579) is ethane;2-phenylethanol;1,3-thiazole.
What is the SMILES notation for ethane;2-phenylethanol;1,3-thiazole?
The canonical SMILES for ethane;2-phenylethanol;1,3-thiazole is CC.OCCc1ccccc1.c1cscn1.
What is the InChIKey of ethane;2-phenylethanol;1,3-thiazole?
The InChIKey is CAGXNTMGAHNVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H3NS.C2H6/c9-7-6-8-4-2-1-3-5-8;1-2-5-3-4-1;1-2/h1-5,9H,6-7H2;1-3H;1-2H3.
What are the key properties of ethane;2-phenylethanol;1,3-thiazole?
ethane;2-phenylethanol;1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenylethanol;1,3-thiazole is sourced from PubChem (CID 144736579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).