2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol

C22H19N3O2S2 — CID 10202393

IUPAC2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol
SMILESCc1cc2cc(Oc3ccnc4cc(-c5nc(C(C)(C)O)cs5)sc34)ccc2[nH]1
InChIInChI=1S/C22H19N3O2S2/c1-12-8-13-9-14(4-5-15(13)24-12)27-17-6-7-23-16-10-18(29-20(16)17)21-25-19(11-28-21)22(2,3)26/h4-11,24,26H,1-3H3
InChIKeyWBMNIYFDGOCKMP-UHFFFAOYSA-N
MW421.55 g/mol
LogP6.23
Rot. Bonds4

About 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol

2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 10202393) has the molecular formula C22H19N3O2S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol
PubChem CID10202393
Molecular FormulaC22H19N3O2S2
Molecular Weight421.55 g/mol
Exact Mass421.09
IUPAC Name2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol
SMILESCc1cc2cc(Oc3ccnc4cc(-c5nc(C(C)(C)O)cs5)sc34)ccc2[nH]1
InChIInChI=1S/C22H19N3O2S2/c1-12-8-13-9-14(4-5-15(13)24-12)27-17-6-7-23-16-10-18(29-20(16)17)21-25-19(11-28-21)22(2,3)26/h4-11,24,26H,1-3H3
InChIKeyWBMNIYFDGOCKMP-UHFFFAOYSA-N
XLogP6.23
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol (CID 10202393) is 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol is Cc1cc2cc(Oc3ccnc4cc(-c5nc(C(C)(C)O)cs5)sc34)ccc2[nH]1.
What is the InChIKey of 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is WBMNIYFDGOCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S2/c1-12-8-13-9-14(4-5-15(13)24-12)27-17-6-7-23-16-10-18(29-20(16)17)21-25-19(11-28-21)22(2,3)26/h4-11,24,26H,1-3H3.
What are the key properties of 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol?
2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 421.55 g/mol, XLogP of 6.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-[(2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 10202393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).