3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C9H10N4S2 — CID 82048181

IUPAC3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1csc(Cc2nnc3n2NCCS3)c1
InChIInChI=1S/C9H10N4S2/c1-2-7(14-4-1)6-8-11-12-9-13(8)10-3-5-15-9/h1-2,4,10H,3,5-6H2
InChIKeySAJJZDLOSYMSIX-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.58
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (PubChem CID 82048181) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
PubChem CID82048181
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILESc1csc(Cc2nnc3n2NCCS3)c1
InChIInChI=1S/C9H10N4S2/c1-2-7(14-4-1)6-8-11-12-9-13(8)10-3-5-15-9/h1-2,4,10H,3,5-6H2
InChIKeySAJJZDLOSYMSIX-UHFFFAOYSA-N
XLogP1.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine with MolForge

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Related Compounds

3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 82048179
6-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 90481590
3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138683
7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144497
2-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54611616
5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061343
4-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 11460397
5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
CID 117259295
1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
CID 82067986
1-chloro-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248156
(2S)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 7742536
3-hexylsulfanyl-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole
CID 151395888

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The IUPAC name of 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CID 82048181) is 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The canonical SMILES for 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is c1csc(Cc2nnc3n2NCCS3)c1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The InChIKey is SAJJZDLOSYMSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c1-2-7(14-4-1)6-8-11-12-9-13(8)10-3-5-15-9/h1-2,4,10H,3,5-6H2.
What are the key properties of 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has a molecular weight of 238.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is sourced from PubChem (CID 82048181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).