6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

C9H9N3S2 — CID 2974247

IUPAC6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCC1Cn2c(nnc2-c2cccs2)S1
InChIInChI=1S/C9H9N3S2/c1-6-5-12-8(7-3-2-4-13-7)10-11-9(12)14-6/h2-4,6H,5H2,1H3
InChIKeyRTOPSXMJURBQPL-UHFFFAOYSA-N
MW223.33 g/mol
LogP2.50
Rot. Bonds1

About 6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 2974247) has the molecular formula C9H9N3S2 and a molecular weight of 223.33 g/mol. Its IUPAC name is 6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID2974247
Molecular FormulaC9H9N3S2
Molecular Weight223.33 g/mol
Exact Mass223.02
IUPAC Name6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCC1Cn2c(nnc2-c2cccs2)S1
InChIInChI=1S/C9H9N3S2/c1-6-5-12-8(7-3-2-4-13-7)10-11-9(12)14-6/h2-4,6H,5H2,1H3
InChIKeyRTOPSXMJURBQPL-UHFFFAOYSA-N
XLogP2.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 2974247) is 6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is CC1Cn2c(nnc2-c2cccs2)S1.
What is the InChIKey of 6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is RTOPSXMJURBQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S2/c1-6-5-12-8(7-3-2-4-13-7)10-11-9(12)14-6/h2-4,6H,5H2,1H3.
What are the key properties of 6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 223.33 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-thiophen-2-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 2974247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).