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

C5H4F3NS — CID 15717201

IUPAC2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H4F3NS/c1-3-9-4(2-10-3)5(6,7)8/h2H,1H3
InChIKeyVKVKRKRGMBQYIC-UHFFFAOYSA-N
MW167.16 g/mol
LogP2.47
Rot. Bonds

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

2-methyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 15717201) has the molecular formula C5H4F3NS and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID15717201
Molecular FormulaC5H4F3NS
Molecular Weight167.16 g/mol
Exact Mass167.00
IUPAC Name2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H4F3NS/c1-3-9-4(2-10-3)5(6,7)8/h2H,1H3
InChIKeyVKVKRKRGMBQYIC-UHFFFAOYSA-N
XLogP2.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1,3-thiazole (CID 15717201) is 2-methyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is VKVKRKRGMBQYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NS/c1-3-9-4(2-10-3)5(6,7)8/h2H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-1,3-thiazole?
2-methyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 167.16 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 15717201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).