2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide

C24H29N3O5S2 — CID 123644551

IUPAC2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide
SMILESCCC(CC)Oc1cc(Oc2ccc(C)nc2)cc2cc(C3=NCC(CCO)S3)[nH]c12.O=S=O
InChIInChI=1S/C24H29N3O3S.O2S/c1-4-17(5-2)30-22-12-19(29-18-7-6-15(3)25-13-18)10-16-11-21(27-23(16)22)24-26-14-20(31-24)8-9-28;1-3-2/h6-7,10-13,17,20,27-28H,4-5,8-9,14H2,1-3H3;
InChIKeyVRCLMBMIJDQTGH-UHFFFAOYSA-N
MW503.65 g/mol
LogP4.81
Rot. Bonds9

About 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide

2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide (PubChem CID 123644551) has the molecular formula C24H29N3O5S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide.

Molecular Properties

Compound Name2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide
PubChem CID123644551
Molecular FormulaC24H29N3O5S2
Molecular Weight503.65 g/mol
Exact Mass503.15
IUPAC Name2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide
SMILESCCC(CC)Oc1cc(Oc2ccc(C)nc2)cc2cc(C3=NCC(CCO)S3)[nH]c12.O=S=O
InChIInChI=1S/C24H29N3O3S.O2S/c1-4-17(5-2)30-22-12-19(29-18-7-6-15(3)25-13-18)10-16-11-21(27-23(16)22)24-26-14-20(31-24)8-9-28;1-3-2/h6-7,10-13,17,20,27-28H,4-5,8-9,14H2,1-3H3;
InChIKeyVRCLMBMIJDQTGH-UHFFFAOYSA-N
XLogP4.81
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide?
The IUPAC name of 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide (CID 123644551) is 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide.
What is the SMILES notation for 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide?
The canonical SMILES for 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide is CCC(CC)Oc1cc(Oc2ccc(C)nc2)cc2cc(C3=NCC(CCO)S3)[nH]c12.O=S=O.
What is the InChIKey of 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide?
The InChIKey is VRCLMBMIJDQTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S.O2S/c1-4-17(5-2)30-22-12-19(29-18-7-6-15(3)25-13-18)10-16-11-21(27-23(16)22)24-26-14-20(31-24)8-9-28;1-3-2/h6-7,10-13,17,20,27-28H,4-5,8-9,14H2,1-3H3;.
What are the key properties of 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide?
2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide has a molecular weight of 503.65 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol;sulfur dioxide is sourced from PubChem (CID 123644551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).