ethane;5-phenyl-1,2-thiazole

C11H13NS — CID 143177315

IUPACethane;5-phenyl-1,2-thiazole
SMILESCC.c1ccc(-c2ccns2)cc1
InChIInChI=1S/C9H7NS.C2H6/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-2/h1-7H;1-2H3
InChIKeyOZDREBNULONPRU-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.84
Rot. Bonds1

About ethane;5-phenyl-1,2-thiazole

ethane;5-phenyl-1,2-thiazole (PubChem CID 143177315) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is ethane;5-phenyl-1,2-thiazole.

Molecular Properties

Compound Nameethane;5-phenyl-1,2-thiazole
PubChem CID143177315
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Nameethane;5-phenyl-1,2-thiazole
SMILESCC.c1ccc(-c2ccns2)cc1
InChIInChI=1S/C9H7NS.C2H6/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-2/h1-7H;1-2H3
InChIKeyOZDREBNULONPRU-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-phenyl-1,2-thiazole?
The IUPAC name of ethane;5-phenyl-1,2-thiazole (CID 143177315) is ethane;5-phenyl-1,2-thiazole.
What is the SMILES notation for ethane;5-phenyl-1,2-thiazole?
The canonical SMILES for ethane;5-phenyl-1,2-thiazole is CC.c1ccc(-c2ccns2)cc1.
What is the InChIKey of ethane;5-phenyl-1,2-thiazole?
The InChIKey is OZDREBNULONPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS.C2H6/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-2/h1-7H;1-2H3.
What are the key properties of ethane;5-phenyl-1,2-thiazole?
ethane;5-phenyl-1,2-thiazole has a molecular weight of 191.30 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-phenyl-1,2-thiazole is sourced from PubChem (CID 143177315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).