(R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol

C18H19N3O2S — CID 99635029

IUPAC(R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nccn1Cc1csc([C@H]2CCCO2)n1
InChIInChI=1S/C18H19N3O2S/c22-16(13-5-2-1-3-6-13)17-19-8-9-21(17)11-14-12-24-18(20-14)15-7-4-10-23-15/h1-3,5-6,8-9,12,15-16,22H,4,7,10-11H2/t15-,16-/m1/s1
InChIKeyBFXQLJAGICJHAX-HZPDHXFCSA-N
MW341.44 g/mol
LogP3.32
Rot. Bonds5

About (R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol

(R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol (PubChem CID 99635029) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol
PubChem CID99635029
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nccn1Cc1csc([C@H]2CCCO2)n1
InChIInChI=1S/C18H19N3O2S/c22-16(13-5-2-1-3-6-13)17-19-8-9-21(17)11-14-12-24-18(20-14)15-7-4-10-23-15/h1-3,5-6,8-9,12,15-16,22H,4,7,10-11H2/t15-,16-/m1/s1
InChIKeyBFXQLJAGICJHAX-HZPDHXFCSA-N
XLogP3.32
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol?
The IUPAC name of (R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol (CID 99635029) is (R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol is O[C@H](c1ccccc1)c1nccn1Cc1csc([C@H]2CCCO2)n1.
What is the InChIKey of (R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol?
The InChIKey is BFXQLJAGICJHAX-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16(13-5-2-1-3-6-13)17-19-8-9-21(17)11-14-12-24-18(20-14)15-7-4-10-23-15/h1-3,5-6,8-9,12,15-16,22H,4,7,10-11H2/t15-,16-/m1/s1.
What are the key properties of (R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol?
(R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol has a molecular weight of 341.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 99635029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).