1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone

C18H12N4O2S2 — CID 167351249

IUPAC1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2nc3sc(-c4cccc(C(C)=O)n4)nc3s2)n1
InChIInChI=1S/C18H12N4O2S2/c1-9(23)11-5-3-7-13(19-11)15-21-17-18(25-15)22-16(26-17)14-8-4-6-12(20-14)10(2)24/h3-8H,1-2H3
InChIKeyIVZRYIGAZHJBHV-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.28
Rot. Bonds4

About 1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone

1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone (PubChem CID 167351249) has the molecular formula C18H12N4O2S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone
PubChem CID167351249
Molecular FormulaC18H12N4O2S2
Molecular Weight380.45 g/mol
Exact Mass380.04
IUPAC Name1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2nc3sc(-c4cccc(C(C)=O)n4)nc3s2)n1
InChIInChI=1S/C18H12N4O2S2/c1-9(23)11-5-3-7-13(19-11)15-21-17-18(25-15)22-16(26-17)14-8-4-6-12(20-14)10(2)24/h3-8H,1-2H3
InChIKeyIVZRYIGAZHJBHV-UHFFFAOYSA-N
XLogP4.28
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone (CID 167351249) is 1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2nc3sc(-c4cccc(C(C)=O)n4)nc3s2)n1.
What is the InChIKey of 1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone?
The InChIKey is IVZRYIGAZHJBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2S2/c1-9(23)11-5-3-7-13(19-11)15-21-17-18(25-15)22-16(26-17)14-8-4-6-12(20-14)10(2)24/h3-8H,1-2H3.
What are the key properties of 1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone?
1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone has a molecular weight of 380.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(6-acetyl-2-pyridinyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 167351249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).