3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole

C12H15N5OS3 — CID 19075416

IUPAC3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole
SMILESCCOc1nsnc1Sc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C12H15N5OS3/c1-3-18-10-12(16-21-14-10)19-11-9(13-20-15-11)8-5-4-6-17(2)7-8/h5H,3-4,6-7H2,1-2H3
InChIKeyCCMNWSWGDOQMPH-UHFFFAOYSA-N
MW341.49 g/mol
LogP2.66
Rot. Bonds5

About 3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole

3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole (PubChem CID 19075416) has the molecular formula C12H15N5OS3 and a molecular weight of 341.49 g/mol. Its IUPAC name is 3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole
PubChem CID19075416
Molecular FormulaC12H15N5OS3
Molecular Weight341.49 g/mol
Exact Mass341.04
IUPAC Name3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole
SMILESCCOc1nsnc1Sc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C12H15N5OS3/c1-3-18-10-12(16-21-14-10)19-11-9(13-20-15-11)8-5-4-6-17(2)7-8/h5H,3-4,6-7H2,1-2H3
InChIKeyCCMNWSWGDOQMPH-UHFFFAOYSA-N
XLogP2.66
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole?
The IUPAC name of 3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole (CID 19075416) is 3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole?
The canonical SMILES for 3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole is CCOc1nsnc1Sc1nsnc1C1=CCCN(C)C1.
What is the InChIKey of 3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole?
The InChIKey is CCMNWSWGDOQMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS3/c1-3-18-10-12(16-21-14-10)19-11-9(13-20-15-11)8-5-4-6-17(2)7-8/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole?
3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole has a molecular weight of 341.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]-1,2,5-thiadiazole is sourced from PubChem (CID 19075416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).