4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole

C15H13F3N4S — CID 60529037

IUPAC4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole
SMILESCc1cc(-c2csc(-c3cnccn3)n2)c(C)n1CC(F)(F)F
InChIInChI=1S/C15H13F3N4S/c1-9-5-11(10(2)22(9)8-15(16,17)18)13-7-23-14(21-13)12-6-19-3-4-20-12/h3-7H,8H2,1-2H3
InChIKeyASKZQRMNEFATQN-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.25
Rot. Bonds3

About 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole

4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole (PubChem CID 60529037) has the molecular formula C15H13F3N4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole
PubChem CID60529037
Molecular FormulaC15H13F3N4S
Molecular Weight338.36 g/mol
Exact Mass338.08
IUPAC Name4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole
SMILESCc1cc(-c2csc(-c3cnccn3)n2)c(C)n1CC(F)(F)F
InChIInChI=1S/C15H13F3N4S/c1-9-5-11(10(2)22(9)8-15(16,17)18)13-7-23-14(21-13)12-6-19-3-4-20-12/h3-7H,8H2,1-2H3
InChIKeyASKZQRMNEFATQN-UHFFFAOYSA-N
XLogP4.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole with MolForge

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Related Compounds

4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
3-[(2-Methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
CID 11608287
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]pyridine
CID 57384102
4-(3,4-Difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
2,4-Di(pyridin-3-yl)thiazole
CID 2725997
2-Phenyl-4-pyridin-3-yl-1,3-thiazole
CID 2725998
(E)-3-[2-(2-methyl-4-thiazolyl)vinyl]pyridine
CID 11715388
4-(2-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2347880

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole (CID 60529037) is 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole is Cc1cc(-c2csc(-c3cnccn3)n2)c(C)n1CC(F)(F)F.
What is the InChIKey of 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole?
The InChIKey is ASKZQRMNEFATQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4S/c1-9-5-11(10(2)22(9)8-15(16,17)18)13-7-23-14(21-13)12-6-19-3-4-20-12/h3-7H,8H2,1-2H3.
What are the key properties of 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole?
4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole has a molecular weight of 338.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 60529037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).