2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole

C13H12F3N5OS2 — CID 135300265

IUPAC2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
SMILESCCCCS(=O)c1nc2nc(-c3nccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C13H12F3N5OS2/c1-2-3-6-24(22)12-19-11-18-8(10-17-4-5-23-10)7-9(13(14,15)16)21(11)20-12/h4-5,7H,2-3,6H2,1H3
InChIKeyOUUGDOMRHBVQJJ-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.17
Rot. Bonds5

About 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole

2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole (PubChem CID 135300265) has the molecular formula C13H12F3N5OS2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
PubChem CID135300265
Molecular FormulaC13H12F3N5OS2
Molecular Weight375.40 g/mol
Exact Mass375.04
IUPAC Name2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
SMILESCCCCS(=O)c1nc2nc(-c3nccs3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C13H12F3N5OS2/c1-2-3-6-24(22)12-19-11-18-8(10-17-4-5-23-10)7-9(13(14,15)16)21(11)20-12/h4-5,7H,2-3,6H2,1H3
InChIKeyOUUGDOMRHBVQJJ-UHFFFAOYSA-N
XLogP3.17
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-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

Related Compounds

2-[2-Butylsulfinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300264
2-[2-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823381
2-[2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823397
4-Propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole
CID 91146345
2-[4-Methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 91356546
2-[4-Methyl-6-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 91544937
6-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 132206610
2-[2-Butylsulfanyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300460
4,6-Bis-thiazol-2-yl-pyrimidine
CID 155569883
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133412963
N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133413014
2-Pyrazolo[1,5-a]pyrimidin-5-yl-1,3-thiazole
CID 67315315

Frequently Asked Questions

What is the IUPAC name of 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole (CID 135300265) is 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole is CCCCS(=O)c1nc2nc(-c3nccs3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
The InChIKey is OUUGDOMRHBVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5OS2/c1-2-3-6-24(22)12-19-11-18-8(10-17-4-5-23-10)7-9(13(14,15)16)21(11)20-12/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole?
2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole has a molecular weight of 375.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole is sourced from PubChem (CID 135300265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).