1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

C12H11N3OS2 — CID 71930797

IUPAC1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cnsn1)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C12H11N3OS2/c16-12(10-8-13-18-14-10)15-5-3-9(4-6-15)11-2-1-7-17-11/h1-3,7-8H,4-6H2
InChIKeyAIQVNKAQEWBBEK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.53
Rot. Bonds2

About 1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 71930797) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID71930797
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cnsn1)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C12H11N3OS2/c16-12(10-8-13-18-14-10)15-5-3-9(4-6-15)11-2-1-7-17-11/h1-3,7-8H,4-6H2
InChIKeyAIQVNKAQEWBBEK-UHFFFAOYSA-N
XLogP2.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of 1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 71930797) is 1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for 1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for 1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cnsn1)N1CC=C(c2cccs2)CC1.
What is the InChIKey of 1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is AIQVNKAQEWBBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c16-12(10-8-13-18-14-10)15-5-3-9(4-6-15)11-2-1-7-17-11/h1-3,7-8H,4-6H2.
What are the key properties of 1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-thiadiazol-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 71930797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).