2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole

C11H13NS — CID 3050568

IUPAC2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole
SMILESCCC1N=C(c2ccccc2)CS1
InChIInChI=1S/C11H13NS/c1-2-11-12-10(8-13-11)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChIKeyJRXFVLUCHMVXKI-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.96
Rot. Bonds2

About 2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole

2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole (PubChem CID 3050568) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole
PubChem CID3050568
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole
SMILESCCC1N=C(c2ccccc2)CS1
InChIInChI=1S/C11H13NS/c1-2-11-12-10(8-13-11)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChIKeyJRXFVLUCHMVXKI-UHFFFAOYSA-N
XLogP2.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole?
The IUPAC name of 2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole (CID 3050568) is 2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole is CCC1N=C(c2ccccc2)CS1.
What is the InChIKey of 2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole?
The InChIKey is JRXFVLUCHMVXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-11-12-10(8-13-11)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3.
What are the key properties of 2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole?
2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole has a molecular weight of 191.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenyl-2,5-dihydro-1,3-thiazole is sourced from PubChem (CID 3050568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).