N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide

C26H17N3O2S — CID 15944887

IUPACN-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1cccc(-c2nc3cccnc3s2)c1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H17N3O2S/c30-24(23-18-9-1-3-12-21(18)31-22-13-4-2-10-19(22)23)28-17-8-5-7-16(15-17)25-29-20-11-6-14-27-26(20)32-25/h1-15,23H,(H,28,30)
InChIKeyBYHBKQJVCFNNRU-UHFFFAOYSA-N
MW435.51 g/mol
LogP6.23
Rot. Bonds3

About N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide

N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide (PubChem CID 15944887) has the molecular formula C26H17N3O2S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide
PubChem CID15944887
Molecular FormulaC26H17N3O2S
Molecular Weight435.51 g/mol
Exact Mass435.10
IUPAC NameN-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1cccc(-c2nc3cccnc3s2)c1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H17N3O2S/c30-24(23-18-9-1-3-12-21(18)31-22-13-4-2-10-19(22)23)28-17-8-5-7-16(15-17)25-29-20-11-6-14-27-26(20)32-25/h1-15,23H,(H,28,30)
InChIKeyBYHBKQJVCFNNRU-UHFFFAOYSA-N
XLogP6.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide (CID 15944887) is N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide is O=C(Nc1cccc(-c2nc3cccnc3s2)c1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide?
The InChIKey is BYHBKQJVCFNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O2S/c30-24(23-18-9-1-3-12-21(18)31-22-13-4-2-10-19(22)23)28-17-8-5-7-16(15-17)25-29-20-11-6-14-27-26(20)32-25/h1-15,23H,(H,28,30).
What are the key properties of N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide?
N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 15944887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).