ethane;5-phenyl-1,3-thiazole

C13H19NS — CID 143177201

IUPACethane;5-phenyl-1,3-thiazole
SMILESCC.CC.c1ccc(-c2cncs2)cc1
InChIInChI=1S/C9H7NS.2C2H6/c1-2-4-8(5-3-1)9-6-10-7-11-9;2*1-2/h1-7H;2*1-2H3
InChIKeyHVLFAAPUSRUGNG-UHFFFAOYSA-N
MW221.37 g/mol
LogP4.86
Rot. Bonds1

About ethane;5-phenyl-1,3-thiazole

ethane;5-phenyl-1,3-thiazole (PubChem CID 143177201) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is ethane;5-phenyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-phenyl-1,3-thiazole
PubChem CID143177201
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Nameethane;5-phenyl-1,3-thiazole
SMILESCC.CC.c1ccc(-c2cncs2)cc1
InChIInChI=1S/C9H7NS.2C2H6/c1-2-4-8(5-3-1)9-6-10-7-11-9;2*1-2/h1-7H;2*1-2H3
InChIKeyHVLFAAPUSRUGNG-UHFFFAOYSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenyl)-1,3-thiazole
CID 20721145
5-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 173298269
2-[[diphenyl-[3-(1,3-thiazol-5-yl)phenyl]methyl]amino]acetic acid
CID 69483817
5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole
CID 121297776
5-(3,4-dichlorophenyl)-1,3-thiazole
CID 76539858
5-(2-ethylphenyl)-1,3-thiazole
CID 67816581
[3-(1,3-thiazol-5-yl)phenyl]methanesulfinic acid
CID 174709475
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
5-[2,6-bis(trifluoromethyl)phenyl]-1,3-thiazole
CID 91805684
5-[3-[(E)-2-[3-(chloromethyl)phenyl]ethenyl]phenyl]-1,3-thiazole
CID 19744638
5-(6-fluoro-2-pyridinyl)-1,3-thiazole
CID 130120231
5-(2,3-difluorophenyl)-1,3-thiazole
CID 76539850

Frequently Asked Questions

What is the IUPAC name of ethane;5-phenyl-1,3-thiazole?
The IUPAC name of ethane;5-phenyl-1,3-thiazole (CID 143177201) is ethane;5-phenyl-1,3-thiazole.
What is the SMILES notation for ethane;5-phenyl-1,3-thiazole?
The canonical SMILES for ethane;5-phenyl-1,3-thiazole is CC.CC.c1ccc(-c2cncs2)cc1.
What is the InChIKey of ethane;5-phenyl-1,3-thiazole?
The InChIKey is HVLFAAPUSRUGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS.2C2H6/c1-2-4-8(5-3-1)9-6-10-7-11-9;2*1-2/h1-7H;2*1-2H3.
What are the key properties of ethane;5-phenyl-1,3-thiazole?
ethane;5-phenyl-1,3-thiazole has a molecular weight of 221.37 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-phenyl-1,3-thiazole is sourced from PubChem (CID 143177201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).