ethane;4-ethyl-2-phenyl-1,3-thiazole

C13H17NS — CID 91427044

IUPACethane;4-ethyl-2-phenyl-1,3-thiazole
SMILESCC.CCc1csc(-c2ccccc2)n1
InChIInChI=1S/C11H11NS.C2H6/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9;1-2/h3-8H,2H2,1H3;1-2H3
InChIKeyUOXQGPSYVHQVPV-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.40
Rot. Bonds2

About ethane;4-ethyl-2-phenyl-1,3-thiazole

ethane;4-ethyl-2-phenyl-1,3-thiazole (PubChem CID 91427044) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is ethane;4-ethyl-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-ethyl-2-phenyl-1,3-thiazole
PubChem CID91427044
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Nameethane;4-ethyl-2-phenyl-1,3-thiazole
SMILESCC.CCc1csc(-c2ccccc2)n1
InChIInChI=1S/C11H11NS.C2H6/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9;1-2/h3-8H,2H2,1H3;1-2H3
InChIKeyUOXQGPSYVHQVPV-UHFFFAOYSA-N
XLogP4.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515
2-ethyl-5-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30411659
5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 72900565
2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
CID 8684946
1,1-diethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038270
N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-2-phenyl-1,3-thiazole?
The IUPAC name of ethane;4-ethyl-2-phenyl-1,3-thiazole (CID 91427044) is ethane;4-ethyl-2-phenyl-1,3-thiazole.
What is the SMILES notation for ethane;4-ethyl-2-phenyl-1,3-thiazole?
The canonical SMILES for ethane;4-ethyl-2-phenyl-1,3-thiazole is CC.CCc1csc(-c2ccccc2)n1.
What is the InChIKey of ethane;4-ethyl-2-phenyl-1,3-thiazole?
The InChIKey is UOXQGPSYVHQVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C2H6/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9;1-2/h3-8H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-2-phenyl-1,3-thiazole?
ethane;4-ethyl-2-phenyl-1,3-thiazole has a molecular weight of 219.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-2-phenyl-1,3-thiazole is sourced from PubChem (CID 91427044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).