2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole

C11H7F3N6S2 — CID 133383561

IUPAC2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCn1c(Sc2nc(C(F)(F)F)cs2)nnc1-c1cnccn1
InChIInChI=1S/C11H7F3N6S2/c1-20-8(6-4-15-2-3-16-6)18-19-9(20)22-10-17-7(5-21-10)11(12,13)14/h2-5H,1H3
InChIKeyGTGFYKCKKGGGID-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.90
Rot. Bonds3

About 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole

2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133383561) has the molecular formula C11H7F3N6S2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133383561
Molecular FormulaC11H7F3N6S2
Molecular Weight344.35 g/mol
Exact Mass344.01
IUPAC Name2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCn1c(Sc2nc(C(F)(F)F)cs2)nnc1-c1cnccn1
InChIInChI=1S/C11H7F3N6S2/c1-20-8(6-4-15-2-3-16-6)18-19-9(20)22-10-17-7(5-21-10)11(12,13)14/h2-5H,1H3
InChIKeyGTGFYKCKKGGGID-UHFFFAOYSA-N
XLogP2.90
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole (CID 133383561) is 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole is Cn1c(Sc2nc(C(F)(F)F)cs2)nnc1-c1cnccn1.
What is the InChIKey of 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is GTGFYKCKKGGGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6S2/c1-20-8(6-4-15-2-3-16-6)18-19-9(20)22-10-17-7(5-21-10)11(12,13)14/h2-5H,1H3.
What are the key properties of 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 344.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133383561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).