1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone

C9H6ClN3OS — CID 130943487

IUPAC1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(Cc1cnsn1)c1ccc(Cl)cn1
InChIInChI=1S/C9H6ClN3OS/c10-6-1-2-8(11-4-6)9(14)3-7-5-12-15-13-7/h1-2,4-5H,3H2
InChIKeyTYDJWQPBPDHYPN-UHFFFAOYSA-N
MW239.69 g/mol
LogP2.01
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone

1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone (PubChem CID 130943487) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone
PubChem CID130943487
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC Name1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(Cc1cnsn1)c1ccc(Cl)cn1
InChIInChI=1S/C9H6ClN3OS/c10-6-1-2-8(11-4-6)9(14)3-7-5-12-15-13-7/h1-2,4-5H,3H2
InChIKeyTYDJWQPBPDHYPN-UHFFFAOYSA-N
XLogP2.01
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone (CID 130943487) is 1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone is O=C(Cc1cnsn1)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone?
The InChIKey is TYDJWQPBPDHYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-6-1-2-8(11-4-6)9(14)3-7-5-12-15-13-7/h1-2,4-5H,3H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone?
1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone has a molecular weight of 239.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone is sourced from PubChem (CID 130943487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).