6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane

C61H66N4O8S2 — CID 158041707

IUPAC6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane
SMILESC.CCCCCCc1cc2cc(-c3cn4ccc(C)cc4n3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3csc(-c4nc(-c5cc6cc(CCCCCC)c(O)cc6oc5=O)cs4)n3)c(=O)oc2cc1C
InChIInChI=1S/C37H38N2O5S2.C23H24N2O3.CH4/c1-4-6-8-10-12-23-15-25-17-27(36(41)43-32(25)14-22(23)3)29-20-45-34(38-29)35-39-30(21-46-35)28-18-26-16-24(13-11-9-7-5-2)31(40)19-33(26)44-37(28)42;1-3-4-5-6-7-16-11-17-12-18(23(27)28-21(17)13-20(16)26)19-14-25-9-8-15(2)10-22(25)24-19;/h14-21,40H,4-13H2,1-3H3;8-14,26H,3-7H2,1-2H3;1H4
InChIKeyFIKVOLSLFMOTRN-UHFFFAOYSA-N
MW1047.35 g/mol
LogP15.95
Rot. Bonds19

About 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane

6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane (PubChem CID 158041707) has the molecular formula C61H66N4O8S2 and a molecular weight of 1047.35 g/mol. Its IUPAC name is 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane.

Molecular Properties

Compound Name6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane
PubChem CID158041707
Molecular FormulaC61H66N4O8S2
Molecular Weight1047.35 g/mol
Exact Mass1046.43
IUPAC Name6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane
SMILESC.CCCCCCc1cc2cc(-c3cn4ccc(C)cc4n3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3csc(-c4nc(-c5cc6cc(CCCCCC)c(O)cc6oc5=O)cs4)n3)c(=O)oc2cc1C
InChIInChI=1S/C37H38N2O5S2.C23H24N2O3.CH4/c1-4-6-8-10-12-23-15-25-17-27(36(41)43-32(25)14-22(23)3)29-20-45-34(38-29)35-39-30(21-46-35)28-18-26-16-24(13-11-9-7-5-2)31(40)19-33(26)44-37(28)42;1-3-4-5-6-7-16-11-17-12-18(23(27)28-21(17)13-20(16)26)19-14-25-9-8-15(2)10-22(25)24-19;/h14-21,40H,4-13H2,1-3H3;8-14,26H,3-7H2,1-2H3;1H4
InChIKeyFIKVOLSLFMOTRN-UHFFFAOYSA-N
XLogP15.95
TPSA174.17 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001047.35
LogP ≤ 515.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane with MolForge

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Related Compounds

7-Hydroxy-5-[1-[[7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-oxochromen-8-yl]methyl]pyrrolidin-2-yl]-3-(4-methyl-1,3-thiazol-2-yl)-8-(pyrrolidin-1-ylmethyl)chromen-2-one
CID 137019703
7-Hydroxy-5-[1-[[7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-oxochromen-8-yl]methyl]pyrrolidin-2-yl]-3-(4-methyl-1,3-thiazol-2-yl)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one
CID 144778382
8-(Azepan-1-ylmethyl)-7-hydroxy-3-(1-methylbenzimidazol-2-yl)chromen-2-one;3-(1,3-benzothiazol-2-yl)-8-[(dimethylamino)methyl]-7-hydroxychromen-2-one;7-hydroxy-3-(1-methylbenzimidazol-2-yl)-8-(piperidin-1-ylmethyl)chromen-2-one
CID 160728796

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane?
The IUPAC name of 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane (CID 158041707) is 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane.
What is the SMILES notation for 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane?
The canonical SMILES for 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane is C.CCCCCCc1cc2cc(-c3cn4ccc(C)cc4n3)c(=O)oc2cc1O.CCCCCCc1cc2cc(-c3csc(-c4nc(-c5cc6cc(CCCCCC)c(O)cc6oc5=O)cs4)n3)c(=O)oc2cc1C.
What is the InChIKey of 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane?
The InChIKey is FIKVOLSLFMOTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O5S2.C23H24N2O3.CH4/c1-4-6-8-10-12-23-15-25-17-27(36(41)43-32(25)14-22(23)3)29-20-45-34(38-29)35-39-30(21-46-35)28-18-26-16-24(13-11-9-7-5-2)31(40)19-33(26)44-37(28)42;1-3-4-5-6-7-16-11-17-12-18(23(27)28-21(17)13-20(16)26)19-14-25-9-8-15(2)10-22(25)24-19;/h14-21,40H,4-13H2,1-3H3;8-14,26H,3-7H2,1-2H3;1H4.
What are the key properties of 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane?
6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane has a molecular weight of 1047.35 g/mol, XLogP of 15.95, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-3-[2-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-7-methylchromen-2-one;6-hexyl-7-hydroxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;methane is sourced from PubChem (CID 158041707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).