6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole

C12H13N3S — CID 946523

IUPAC6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCC1(C)Cn2c(nnc2-c2ccccc2)S1
InChIInChI=1S/C12H13N3S/c1-12(2)8-15-10(13-14-11(15)16-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyFFVTZBCEZRPMKX-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.83
Rot. Bonds1

About 6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole

6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 946523) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID946523
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCC1(C)Cn2c(nnc2-c2ccccc2)S1
InChIInChI=1S/C12H13N3S/c1-12(2)8-15-10(13-14-11(15)16-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyFFVTZBCEZRPMKX-UHFFFAOYSA-N
XLogP2.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 946523) is 6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole is CC1(C)Cn2c(nnc2-c2ccccc2)S1.
What is the InChIKey of 6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is FFVTZBCEZRPMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-12(2)8-15-10(13-14-11(15)16-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole?
6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 231.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 946523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).