4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole

C8H10F3NS — CID 177050484

IUPAC4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)sc1C(C)C
InChIInChI=1S/C8H10F3NS/c1-4(2)6-5(3)12-7(13-6)8(9,10)11/h4H,1-3H3
InChIKeyCFWRJFQCFLUKHS-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.59
Rot. Bonds1

About 4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole

4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 177050484) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID177050484
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)sc1C(C)C
InChIInChI=1S/C8H10F3NS/c1-4(2)6-5(3)12-7(13-6)8(9,10)11/h4H,1-3H3
InChIKeyCFWRJFQCFLUKHS-UHFFFAOYSA-N
XLogP3.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole (CID 177050484) is 4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)sc1C(C)C.
What is the InChIKey of 4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CFWRJFQCFLUKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-4(2)6-5(3)12-7(13-6)8(9,10)11/h4H,1-3H3.
What are the key properties of 4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 209.24 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 177050484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).