4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole

C5H4F3NOS2 — CID 70841970

IUPAC4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole
SMILESCc1csc(SOC(F)(F)F)n1
InChIInChI=1S/C5H4F3NOS2/c1-3-2-11-4(9-3)12-10-5(6,7)8/h2H,1H3
InChIKeyUSSBXDMGHYGRSY-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.00
Rot. Bonds2

About 4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole

4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole (PubChem CID 70841970) has the molecular formula C5H4F3NOS2 and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole
PubChem CID70841970
Molecular FormulaC5H4F3NOS2
Molecular Weight215.22 g/mol
Exact Mass214.97
IUPAC Name4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole
SMILESCc1csc(SOC(F)(F)F)n1
InChIInChI=1S/C5H4F3NOS2/c1-3-2-11-4(9-3)12-10-5(6,7)8/h2H,1H3
InChIKeyUSSBXDMGHYGRSY-UHFFFAOYSA-N
XLogP3.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4-(trifluoromethyl)-1,3-thiazole
CID 17803785
2-Bromo-4-(trifluoromethyl)-1,3-thiazole
CID 23149887
2-Iodo-4-(trifluoromethyl)-1,3-thiazole
CID 23154585
2-(Tributylstannyl)-4-(trifluoromethyl)-1,3-thiazole
CID 53403789
2-Bromo-4-(difluoromethyl)-1,3-thiazole
CID 83854657
2-Methyl-4-(trifluoromethyl)-1,3-thiazole
CID 15717201
4-Methyl-2-(methylsulfanyl)-1,3-thiazole
CID 22156633
4-Methyl-1,3-thiazole-2-sulfonyl fluoride
CID 131042879
2-(1-Chloro-2,2,2-trifluoroethyl)sulfanyl-4-methyl-1,3-thiazole
CID 119083853
2-Methoxy-4-methylthiazole
CID 12743059
2-Ethylsulfanyl-4-methyl-1,3-thiazole
CID 350823
2-(4,4-Difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole
CID 19711343

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole (CID 70841970) is 4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole is Cc1csc(SOC(F)(F)F)n1.
What is the InChIKey of 4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole?
The InChIKey is USSBXDMGHYGRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS2/c1-3-2-11-4(9-3)12-10-5(6,7)8/h2H,1H3.
What are the key properties of 4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole?
4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole has a molecular weight of 215.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole is sourced from PubChem (CID 70841970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).