2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole

C24H22FNO2S — CID 10069970

IUPAC2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole
SMILESCC[C@](OC)(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C24H22FNO2S/c1-3-24(27-2,23-26-10-11-29-23)20-13-21(25)15-22(14-20)28-16-17-8-9-18-6-4-5-7-19(18)12-17/h4-15H,3,16H2,1-2H3/t24-/m0/s1
InChIKeyXVKSBHTYCOTLRR-DEOSSOPVSA-N
MW407.51 g/mol
LogP6.31
Rot. Bonds7

About 2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole

2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole (PubChem CID 10069970) has the molecular formula C24H22FNO2S and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole
PubChem CID10069970
Molecular FormulaC24H22FNO2S
Molecular Weight407.51 g/mol
Exact Mass407.14
IUPAC Name2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole
SMILESCC[C@](OC)(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C24H22FNO2S/c1-3-24(27-2,23-26-10-11-29-23)20-13-21(25)15-22(14-20)28-16-17-8-9-18-6-4-5-7-19(18)12-17/h4-15H,3,16H2,1-2H3/t24-/m0/s1
InChIKeyXVKSBHTYCOTLRR-DEOSSOPVSA-N
XLogP6.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole?
The IUPAC name of 2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole (CID 10069970) is 2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole?
The canonical SMILES for 2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole is CC[C@](OC)(c1cc(F)cc(OCc2ccc3ccccc3c2)c1)c1nccs1.
What is the InChIKey of 2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole?
The InChIKey is XVKSBHTYCOTLRR-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22FNO2S/c1-3-24(27-2,23-26-10-11-29-23)20-13-21(25)15-22(14-20)28-16-17-8-9-18-6-4-5-7-19(18)12-17/h4-15H,3,16H2,1-2H3/t24-/m0/s1.
What are the key properties of 2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole?
2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole has a molecular weight of 407.51 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-1-methoxypropyl]-1,3-thiazole is sourced from PubChem (CID 10069970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).