10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol

C28H34N2O2S — CID 91482127

IUPAC10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol
SMILESCC1=Cc2sc(C3Cc4cc5c6c(c4OC3O)C(C)(C)CCN6CCC5(C)C)nc2C=CC1
InChIInChI=1S/C28H34N2O2S/c1-16-7-6-8-20-21(13-16)33-25(29-20)18-14-17-15-19-23-22(24(17)32-26(18)31)28(4,5)10-12-30(23)11-9-27(19,2)3/h6,8,13,15,18,26,31H,7,9-12,14H2,1-5H3
InChIKeyOUMYJHNEMSGILH-UHFFFAOYSA-N
MW462.66 g/mol
LogP6.17
Rot. Bonds1

About 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol

10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol (PubChem CID 91482127) has the molecular formula C28H34N2O2S and a molecular weight of 462.66 g/mol. Its IUPAC name is 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol.

Molecular Properties

Compound Name10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol
PubChem CID91482127
Molecular FormulaC28H34N2O2S
Molecular Weight462.66 g/mol
Exact Mass462.23
IUPAC Name10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol
SMILESCC1=Cc2sc(C3Cc4cc5c6c(c4OC3O)C(C)(C)CCN6CCC5(C)C)nc2C=CC1
InChIInChI=1S/C28H34N2O2S/c1-16-7-6-8-20-21(13-16)33-25(29-20)18-14-17-15-19-23-22(24(17)32-26(18)31)28(4,5)10-12-30(23)11-9-27(19,2)3/h6,8,13,15,18,26,31H,7,9-12,14H2,1-5H3
InChIKeyOUMYJHNEMSGILH-UHFFFAOYSA-N
XLogP6.17
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.66
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol?
The IUPAC name of 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol (CID 91482127) is 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol.
What is the SMILES notation for 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol?
The canonical SMILES for 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol is CC1=Cc2sc(C3Cc4cc5c6c(c4OC3O)C(C)(C)CCN6CCC5(C)C)nc2C=CC1.
What is the InChIKey of 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol?
The InChIKey is OUMYJHNEMSGILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2S/c1-16-7-6-8-20-21(13-16)33-25(29-20)18-14-17-15-19-23-22(24(17)32-26(18)31)28(4,5)10-12-30(23)11-9-27(19,2)3/h6,8,13,15,18,26,31H,7,9-12,14H2,1-5H3.
What are the key properties of 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol?
10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol has a molecular weight of 462.66 g/mol, XLogP of 6.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,16,16-tetramethyl-5-(7-methyl-6H-cyclohepta[d][1,3]thiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17)-trien-4-ol is sourced from PubChem (CID 91482127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).