7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole

C28H42N2O4S2 — CID 142191260

IUPAC7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
SMILESC/C=C\c1csc(C)n1.Cc1nc2c(s1)CCOC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)CCC2
InChIInChI=1S/C21H33NO4S.C7H9NS/c1-13-7-6-8-16-17(27-15(3)22-16)9-10-26-19(24)12-18(23)21(4,5)20(25)14(2)11-13;1-3-4-7-5-9-6(2)8-7/h13-14,18,23H,6-12H2,1-5H3;3-5H,1-2H3/b;4-3-
InChIKeyIOLNEJUWDJDWQF-QGAMPUOQSA-N
MW534.79 g/mol
LogP6.37
Rot. Bonds1

About 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole

7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole (PubChem CID 142191260) has the molecular formula C28H42N2O4S2 and a molecular weight of 534.79 g/mol. Its IUPAC name is 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
PubChem CID142191260
Molecular FormulaC28H42N2O4S2
Molecular Weight534.79 g/mol
Exact Mass534.26
IUPAC Name7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
SMILESC/C=C\c1csc(C)n1.Cc1nc2c(s1)CCOC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)CCC2
InChIInChI=1S/C21H33NO4S.C7H9NS/c1-13-7-6-8-16-17(27-15(3)22-16)9-10-26-19(24)12-18(23)21(4,5)20(25)14(2)11-13;1-3-4-7-5-9-6(2)8-7/h13-14,18,23H,6-12H2,1-5H3;3-5H,1-2H3/b;4-3-
InChIKeyIOLNEJUWDJDWQF-QGAMPUOQSA-N
XLogP6.37
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.79
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

(13Z)-13-ethyl-4-hydroxy-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
CID 142099491
(8R,9Z)-3-hydroxy-2,2,8,10,14,16-hexamethylcyclohexadec-9-ene-1,5-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
CID 142247857
(13Z)-4-hydroxy-5,7,9,13-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
CID 142884022
(4S,7R,9S,13S)-4-hydroxy-5,5,7,9-tetramethyl-13-propyl-oxacyclohexadecane-2,6-dione;(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-amine
CID 143590719
2-(tert-butylamino)acetaldehyde;4-hydroxy-5,7,9,13-tetramethyl-oxacyclohexadecane-2,6-dione;methanol;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
CID 145399013
(13Z,15S)-4-hydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 142247845
(4S,7R,8S,9S,16S,17Z)-4,8,16-trihydroxy-5,5,7,9-tetramethyl-17-[(2-methyl-1,3-thiazol-4-yl)methylidene]-oxacyclooctadecane-2,6-dione
CID 46866031
(1S,7S,10R,12R,13S,16R)-7,13-dihydroxy-8,8,10,12-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 90686598
(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13,15-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
CID 58594601
4,8-dihydroxy-5,5,7,9,13,16-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
CID 73207838
ethane;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole;propanoic acid;(5,7,9,13-tetramethyl-2,6-dioxo-oxacyclohexadec-4-yl) butanoate
CID 145398999
(1R,3S,11S)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4-oxa-17-azabicyclo[14.3.0]nonadecane-5,9,18-trione
CID 59161913

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole?
The IUPAC name of 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole (CID 142191260) is 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole.
What is the SMILES notation for 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole?
The canonical SMILES for 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole is C/C=C\c1csc(C)n1.Cc1nc2c(s1)CCOC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)CCC2.
What is the InChIKey of 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole?
The InChIKey is IOLNEJUWDJDWQF-QGAMPUOQSA-N. The full InChI is InChI=1S/C21H33NO4S.C7H9NS/c1-13-7-6-8-16-17(27-15(3)22-16)9-10-26-19(24)12-18(23)21(4,5)20(25)14(2)11-13;1-3-4-7-5-9-6(2)8-7/h13-14,18,23H,6-12H2,1-5H3;3-5H,1-2H3/b;4-3-.
What are the key properties of 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole?
7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole has a molecular weight of 534.79 g/mol, XLogP of 6.37, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 142191260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).