4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole

C11H11N3OS2 — CID 163902915

IUPAC4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole
SMILESCc1nc(-c2nc(C3=N[C@H](C)CS3)co2)cs1
InChIInChI=1S/C11H11N3OS2/c1-6-4-17-11(12-6)8-3-15-10(14-8)9-5-16-7(2)13-9/h3,5-6H,4H2,1-2H3/t6-/m1/s1
InChIKeyQLKWEERUEPKWHC-ZCFIWIBFSA-N
MW265.36 g/mol
LogP2.99
Rot. Bonds2

About 4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole

4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole (PubChem CID 163902915) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole
PubChem CID163902915
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole
SMILESCc1nc(-c2nc(C3=N[C@H](C)CS3)co2)cs1
InChIInChI=1S/C11H11N3OS2/c1-6-4-17-11(12-6)8-3-15-10(14-8)9-5-16-7(2)13-9/h3,5-6H,4H2,1-2H3/t6-/m1/s1
InChIKeyQLKWEERUEPKWHC-ZCFIWIBFSA-N
XLogP2.99
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole?
The IUPAC name of 4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole (CID 163902915) is 4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole?
The canonical SMILES for 4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole is Cc1nc(-c2nc(C3=N[C@H](C)CS3)co2)cs1.
What is the InChIKey of 4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole?
The InChIKey is QLKWEERUEPKWHC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-6-4-17-11(12-6)8-3-15-10(14-8)9-5-16-7(2)13-9/h3,5-6H,4H2,1-2H3/t6-/m1/s1.
What are the key properties of 4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole?
4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole has a molecular weight of 265.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 163902915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).