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(4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole

C12H14NO3PS — CID 102103861

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole
SMILESCC(C)(Op1oo1)[C@H]1CSC(c2ccccc2)=N1
InChIInChI=1S/C12H14NO3PS/c1-12(2,14-17-15-16-17)10-8-18-11(13-10)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKeyKULSENHIXGXGQL-SNVBAGLBSA-N
MW283.29 g/mol
LogP3.63
Rot. Bonds4

About (4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole

(4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole (PubChem CID 102103861) has the molecular formula C12H14NO3PS and a molecular weight of 283.29 g/mol. Its IUPAC name is (4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole
PubChem CID102103861
Molecular FormulaC12H14NO3PS
Molecular Weight283.29 g/mol
Exact Mass283.04
IUPAC Name(4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole
SMILESCC(C)(Op1oo1)[C@H]1CSC(c2ccccc2)=N1
InChIInChI=1S/C12H14NO3PS/c1-12(2,14-17-15-16-17)10-8-18-11(13-10)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKeyKULSENHIXGXGQL-SNVBAGLBSA-N
XLogP3.63
TPSA47.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole (CID 102103861) is (4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole is CC(C)(Op1oo1)[C@H]1CSC(c2ccccc2)=N1.
What is the InChIKey of (4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is KULSENHIXGXGQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14NO3PS/c1-12(2,14-17-15-16-17)10-8-18-11(13-10)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole?
(4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 283.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(dioxaphosphiran-3-yloxy)propan-2-yl]-2-phenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 102103861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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