6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C18H27N3O2SSi — CID 66851774

IUPAC6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC1(C)Cc2nc(N3CCOC[C@@H]3CC#C[Si](C)(C)C)sc2C(=O)N1
InChIInChI=1S/C18H27N3O2SSi/c1-18(2)11-14-15(16(22)20-18)24-17(19-14)21-8-9-23-12-13(21)7-6-10-25(3,4)5/h13H,7-9,11-12H2,1-5H3,(H,20,22)/t13-/m0/s1
InChIKeyOLSTUYCUJWPLNT-ZDUSSCGKSA-N
MW377.59 g/mol
LogP2.68
Rot. Bonds2

About 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 66851774) has the molecular formula C18H27N3O2SSi and a molecular weight of 377.59 g/mol. Its IUPAC name is 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID66851774
Molecular FormulaC18H27N3O2SSi
Molecular Weight377.59 g/mol
Exact Mass377.16
IUPAC Name6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC1(C)Cc2nc(N3CCOC[C@@H]3CC#C[Si](C)(C)C)sc2C(=O)N1
InChIInChI=1S/C18H27N3O2SSi/c1-18(2)11-14-15(16(22)20-18)24-17(19-14)21-8-9-23-12-13(21)7-6-10-25(3,4)5/h13H,7-9,11-12H2,1-5H3,(H,20,22)/t13-/m0/s1
InChIKeyOLSTUYCUJWPLNT-ZDUSSCGKSA-N
XLogP2.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.59
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 66851774) is 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is CC1(C)Cc2nc(N3CCOC[C@@H]3CC#C[Si](C)(C)C)sc2C(=O)N1.
What is the InChIKey of 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is OLSTUYCUJWPLNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O2SSi/c1-18(2)11-14-15(16(22)20-18)24-17(19-14)21-8-9-23-12-13(21)7-6-10-25(3,4)5/h13H,7-9,11-12H2,1-5H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 377.59 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[(3S)-3-(3-trimethylsilylprop-2-ynyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 66851774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).