2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol

C24H29N3O5S2 — CID 44516556

IUPAC2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cn2)cc2cc(C3=NCC(CC(C)(C)O)S3)[nH]c12
InChIInChI=1S/C24H29N3O5S2/c1-14(2)31-20-10-16(32-21-7-6-18(13-25-21)34(5,29)30)8-15-9-19(27-22(15)20)23-26-12-17(33-23)11-24(3,4)28/h6-10,13-14,17,27-28H,11-12H2,1-5H3
InChIKeyDQRMARZXJVOZIO-UHFFFAOYSA-N
MW503.65 g/mol
LogP4.57
Rot. Bonds8

About 2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol

2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 44516556) has the molecular formula C24H29N3O5S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol
PubChem CID44516556
Molecular FormulaC24H29N3O5S2
Molecular Weight503.65 g/mol
Exact Mass503.15
IUPAC Name2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cn2)cc2cc(C3=NCC(CC(C)(C)O)S3)[nH]c12
InChIInChI=1S/C24H29N3O5S2/c1-14(2)31-20-10-16(32-21-7-6-18(13-25-21)34(5,29)30)8-15-9-19(27-22(15)20)23-26-12-17(33-23)11-24(3,4)28/h6-10,13-14,17,27-28H,11-12H2,1-5H3
InChIKeyDQRMARZXJVOZIO-UHFFFAOYSA-N
XLogP4.57
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol (CID 44516556) is 2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol is CC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cn2)cc2cc(C3=NCC(CC(C)(C)O)S3)[nH]c12.
What is the InChIKey of 2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is DQRMARZXJVOZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S2/c1-14(2)31-20-10-16(32-21-7-6-18(13-25-21)34(5,29)30)8-15-9-19(27-22(15)20)23-26-12-17(33-23)11-24(3,4)28/h6-10,13-14,17,27-28H,11-12H2,1-5H3.
What are the key properties of 2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol?
2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 503.65 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[5-[(5-methylsulfonyl-2-pyridinyl)oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 44516556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).