(11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione

C28H42N2O5S — CID 142694666

About (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione

(11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione (PubChem CID 142694666) has the molecular formula C28H42N2O5S and a molecular weight of 518.72 g/mol. Its IUPAC name is (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione.

Molecular Properties

• Compound Name: (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione
• PubChem CID: 142694666
• Molecular Formula: C28H42N2O5S
• Molecular Weight: 518.72 g/mol
• Exact Mass: 518.28
• IUPAC Name: (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione
• SMILES: CC(=Cc1csc(C)n1)C1CCC(C)/C=C\C(=O)C(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)N1C
• InChI: InChI=1S/C28H42N2O5S/c1-16-9-11-22(17(2)13-21-15-36-20(5)29-21)30(8)25(33)14-24(32)28(6,7)27(35)19(4)26(34)18(3)23(31)12-10-16/h10,12-13,15-16,18-19,22,24,26,32,34H,9,11,14H2,1-8H3/b12-10-,17-13?
• InChIKey: LIIZOMGYJGLWLT-XQOSEKEISA-N
• XLogP: 4.22
• TPSA: 107.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.72
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione?

The IUPAC name of (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione (CID 142694666) is (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione.

What is the SMILES notation for (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione?

The canonical SMILES for (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione is CC(=Cc1csc(C)n1)C1CCC(C)/C=C\C(=O)C(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)N1C.

What is the InChIKey of (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione?

The InChIKey is LIIZOMGYJGLWLT-XQOSEKEISA-N. The full InChI is InChI=1S/C28H42N2O5S/c1-16-9-11-22(17(2)13-21-15-36-20(5)29-21)30(8)25(33)14-24(32)28(6,7)27(35)19(4)26(34)18(3)23(31)12-10-16/h10,12-13,15-16,18-19,22,24,26,32,34H,9,11,14H2,1-8H3/b12-10-,17-13?.

What are the key properties of (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione?

(11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione has a molecular weight of 518.72 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (11Z)-4,8-dihydroxy-1,5,5,7,9,13-hexamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-azacyclohexadec-11-ene-2,6,10-trione is sourced from PubChem (CID 142694666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).