2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile

C10H8N4OS — CID 103375229

IUPAC2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile
SMILESCOc1ccc(-c2nc(CC#N)cs2)nn1
InChIInChI=1S/C10H8N4OS/c1-15-9-3-2-8(13-14-9)10-12-7(4-5-11)6-16-10/h2-3,6H,4H2,1H3
InChIKeyUNFOVUTZHODNDY-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.67
Rot. Bonds3

About 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile

2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile (PubChem CID 103375229) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile
PubChem CID103375229
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile
SMILESCOc1ccc(-c2nc(CC#N)cs2)nn1
InChIInChI=1S/C10H8N4OS/c1-15-9-3-2-8(13-14-9)10-12-7(4-5-11)6-16-10/h2-3,6H,4H2,1H3
InChIKeyUNFOVUTZHODNDY-UHFFFAOYSA-N
XLogP1.67
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile?
The IUPAC name of 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile (CID 103375229) is 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile is COc1ccc(-c2nc(CC#N)cs2)nn1.
What is the InChIKey of 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile?
The InChIKey is UNFOVUTZHODNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-15-9-3-2-8(13-14-9)10-12-7(4-5-11)6-16-10/h2-3,6H,4H2,1H3.
What are the key properties of 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile?
2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile has a molecular weight of 232.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile is sourced from PubChem (CID 103375229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).