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

C13H9F3N6S2 — CID 133383573

IUPAC2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESC=CCn1c(Sc2nc(C(F)(F)F)cs2)nnc1-c1cnccn1
InChIInChI=1S/C13H9F3N6S2/c1-2-5-22-10(8-6-17-3-4-18-8)20-21-11(22)24-12-19-9(7-23-12)13(14,15)16/h2-4,6-7H,1,5H2
InChIKeySEUJEBLIZFBVAP-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.55
Rot. Bonds5

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

2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133383573) has the molecular formula C13H9F3N6S2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133383573
Molecular FormulaC13H9F3N6S2
Molecular Weight370.39 g/mol
Exact Mass370.03
IUPAC Name2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESC=CCn1c(Sc2nc(C(F)(F)F)cs2)nnc1-c1cnccn1
InChIInChI=1S/C13H9F3N6S2/c1-2-5-22-10(8-6-17-3-4-18-8)20-21-11(22)24-12-19-9(7-23-12)13(14,15)16/h2-4,6-7H,1,5H2
InChIKeySEUJEBLIZFBVAP-UHFFFAOYSA-N
XLogP3.55
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole (CID 133383573) is 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole is C=CCn1c(Sc2nc(C(F)(F)F)cs2)nnc1-c1cnccn1.
What is the InChIKey of 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SEUJEBLIZFBVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6S2/c1-2-5-22-10(8-6-17-3-4-18-8)20-21-11(22)24-12-19-9(7-23-12)13(14,15)16/h2-4,6-7H,1,5H2.
What are the key properties of 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 370.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133383573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).