3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole

C12H13N3OS2 — CID 10016465

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole
SMILESCN1CCC=C(c2nsnc2Oc2ccsc2)C1
InChIInChI=1S/C12H13N3OS2/c1-15-5-2-3-9(7-15)11-12(14-18-13-11)16-10-4-6-17-8-10/h3-4,6,8H,2,5,7H2,1H3
InChIKeyVXNAZJYELANRMW-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.11
Rot. Bonds3

About 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole (PubChem CID 10016465) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole
PubChem CID10016465
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole
SMILESCN1CCC=C(c2nsnc2Oc2ccsc2)C1
InChIInChI=1S/C12H13N3OS2/c1-15-5-2-3-9(7-15)11-12(14-18-13-11)16-10-4-6-17-8-10/h3-4,6,8H,2,5,7H2,1H3
InChIKeyVXNAZJYELANRMW-UHFFFAOYSA-N
XLogP3.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole (CID 10016465) is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole is CN1CCC=C(c2nsnc2Oc2ccsc2)C1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole?
The InChIKey is VXNAZJYELANRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-15-5-2-3-9(7-15)11-12(14-18-13-11)16-10-4-6-17-8-10/h3-4,6,8H,2,5,7H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole?
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole has a molecular weight of 279.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-thiophen-3-yloxy-1,2,5-thiadiazole is sourced from PubChem (CID 10016465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).