3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole

C9H13N3OS — CID 15180143

IUPAC3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
SMILESCCOc1nsnc1C1=CCCNC1
InChIInChI=1S/C9H13N3OS/c1-2-13-9-8(11-14-12-9)7-4-3-5-10-6-7/h4,10H,2-3,5-6H2,1H3
InChIKeyWCJPIRVYBXBRCS-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.31
Rot. Bonds3

About 3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole

3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 15180143) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
PubChem CID15180143
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
SMILESCCOc1nsnc1C1=CCCNC1
InChIInChI=1S/C9H13N3OS/c1-2-13-9-8(11-14-12-9)7-4-3-5-10-6-7/h4,10H,2-3,5-6H2,1H3
InChIKeyWCJPIRVYBXBRCS-UHFFFAOYSA-N
XLogP1.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole (CID 15180143) is 3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole is CCOc1nsnc1C1=CCCNC1.
What is the InChIKey of 3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is WCJPIRVYBXBRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-13-9-8(11-14-12-9)7-4-3-5-10-6-7/h4,10H,2-3,5-6H2,1H3.
What are the key properties of 3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 211.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 15180143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).