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

C12H9F3N6S2 — CID 133383577

IUPAC2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCn1c(Sc2nc(C(F)(F)F)cs2)nnc1-c1cnccn1
InChIInChI=1S/C12H9F3N6S2/c1-2-21-9(7-5-16-3-4-17-7)19-20-10(21)23-11-18-8(6-22-11)12(13,14)15/h3-6H,2H2,1H3
InChIKeyFFGUTNXCMKBCAH-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.38
Rot. Bonds4

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

2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133383577) has the molecular formula C12H9F3N6S2 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133383577
Molecular FormulaC12H9F3N6S2
Molecular Weight358.37 g/mol
Exact Mass358.03
IUPAC Name2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCn1c(Sc2nc(C(F)(F)F)cs2)nnc1-c1cnccn1
InChIInChI=1S/C12H9F3N6S2/c1-2-21-9(7-5-16-3-4-17-7)19-20-10(21)23-11-18-8(6-22-11)12(13,14)15/h3-6H,2H2,1H3
InChIKeyFFGUTNXCMKBCAH-UHFFFAOYSA-N
XLogP3.38
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole (CID 133383577) is 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole is CCn1c(Sc2nc(C(F)(F)F)cs2)nnc1-c1cnccn1.
What is the InChIKey of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FFGUTNXCMKBCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6S2/c1-2-21-9(7-5-16-3-4-17-7)19-20-10(21)23-11-18-8(6-22-11)12(13,14)15/h3-6H,2H2,1H3.
What are the key properties of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 358.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133383577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).