(1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol

C18H23N3O2S — CID 99632295

IUPAC(1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
SMILESO[C@@]1(CNCc2cnc(N3CCOCC3)s2)CCc2ccccc21
InChIInChI=1S/C18H23N3O2S/c22-18(6-5-14-3-1-2-4-16(14)18)13-19-11-15-12-20-17(24-15)21-7-9-23-10-8-21/h1-4,12,19,22H,5-11,13H2/t18-/m1/s1
InChIKeyZJXDUKJZRUOCIG-GOSISDBHSA-N
MW345.47 g/mol
LogP1.90
Rot. Bonds5

About (1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol

(1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol (PubChem CID 99632295) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
PubChem CID99632295
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
SMILESO[C@@]1(CNCc2cnc(N3CCOCC3)s2)CCc2ccccc21
InChIInChI=1S/C18H23N3O2S/c22-18(6-5-14-3-1-2-4-16(14)18)13-19-11-15-12-20-17(24-15)21-7-9-23-10-8-21/h1-4,12,19,22H,5-11,13H2/t18-/m1/s1
InChIKeyZJXDUKJZRUOCIG-GOSISDBHSA-N
XLogP1.90
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of (1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol (CID 99632295) is (1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for (1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol is O[C@@]1(CNCc2cnc(N3CCOCC3)s2)CCc2ccccc21.
What is the InChIKey of (1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
The InChIKey is ZJXDUKJZRUOCIG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-18(6-5-14-3-1-2-4-16(14)18)13-19-11-15-12-20-17(24-15)21-7-9-23-10-8-21/h1-4,12,19,22H,5-11,13H2/t18-/m1/s1.
What are the key properties of (1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
(1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol has a molecular weight of 345.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 99632295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).