(4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole

C11H13NS — CID 11084689

IUPAC(4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole
SMILESCC[C@@H]1CSC(c2ccccc2)=N1
InChIInChI=1S/C11H13NS/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1
InChIKeyOKZCWOZVCNOBBD-SNVBAGLBSA-N
MW191.30 g/mol
LogP2.96
Rot. Bonds2

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

(4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 11084689) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is (4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID11084689
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name(4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole
SMILESCC[C@@H]1CSC(c2ccccc2)=N1
InChIInChI=1S/C11H13NS/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1
InChIKeyOKZCWOZVCNOBBD-SNVBAGLBSA-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 (4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole (CID 11084689) is (4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole is CC[C@@H]1CSC(c2ccccc2)=N1.
What is the InChIKey of (4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is OKZCWOZVCNOBBD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole?
(4R)-4-ethyl-2-phenyl-4,5-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 (4R)-4-ethyl-2-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 11084689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).