[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone

C19H18N2O2S — CID 138029006

IUPAC[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone
SMILESO=C([C@@H]1CSC(c2ccccc2)=N1)N1CC(CO)c2ccccc21
InChIInChI=1S/C19H18N2O2S/c22-11-14-10-21(17-9-5-4-8-15(14)17)19(23)16-12-24-18(20-16)13-6-2-1-3-7-13/h1-9,14,16,22H,10-12H2/t14?,16-/m0/s1
InChIKeyLOMWMAXJTIJZLC-WMCAAGNKSA-N
MW338.43 g/mol
LogP2.67
Rot. Bonds3

About [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone

[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone (PubChem CID 138029006) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone
PubChem CID138029006
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone
SMILESO=C([C@@H]1CSC(c2ccccc2)=N1)N1CC(CO)c2ccccc21
InChIInChI=1S/C19H18N2O2S/c22-11-14-10-21(17-9-5-4-8-15(14)17)19(23)16-12-24-18(20-16)13-6-2-1-3-7-13/h1-9,14,16,22H,10-12H2/t14?,16-/m0/s1
InChIKeyLOMWMAXJTIJZLC-WMCAAGNKSA-N
XLogP2.67
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone (CID 138029006) is [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone is O=C([C@@H]1CSC(c2ccccc2)=N1)N1CC(CO)c2ccccc21.
What is the InChIKey of [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone?
The InChIKey is LOMWMAXJTIJZLC-WMCAAGNKSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-11-14-10-21(17-9-5-4-8-15(14)17)19(23)16-12-24-18(20-16)13-6-2-1-3-7-13/h1-9,14,16,22H,10-12H2/t14?,16-/m0/s1.
What are the key properties of [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone?
[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone has a molecular weight of 338.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 138029006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).