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

C16H14N4O2S2 — CID 58190113

IUPAC1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cnc(CC(=O)c2cccc(C(=O)Cc3nnc(C)s3)n2)s1
InChIInChI=1S/C16H14N4O2S2/c1-9-8-17-15(23-9)6-13(21)11-4-3-5-12(18-11)14(22)7-16-20-19-10(2)24-16/h3-5,8H,6-7H2,1-2H3
InChIKeyNCPDRIIOGIYHCD-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.86
Rot. Bonds6

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

1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 58190113) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID58190113
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC Name1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cnc(CC(=O)c2cccc(C(=O)Cc3nnc(C)s3)n2)s1
InChIInChI=1S/C16H14N4O2S2/c1-9-8-17-15(23-9)6-13(21)11-4-3-5-12(18-11)14(22)7-16-20-19-10(2)24-16/h3-5,8H,6-7H2,1-2H3
InChIKeyNCPDRIIOGIYHCD-UHFFFAOYSA-N
XLogP2.86
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone (CID 58190113) is 1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone is Cc1cnc(CC(=O)c2cccc(C(=O)Cc3nnc(C)s3)n2)s1.
What is the InChIKey of 1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is NCPDRIIOGIYHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c1-9-8-17-15(23-9)6-13(21)11-4-3-5-12(18-11)14(22)7-16-20-19-10(2)24-16/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone?
1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 358.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]-2-pyridinyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 58190113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).