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

C8H10F3NS — CID 59519148

IUPAC2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C8H10F3NS/c1-4(2)6-7(8(9,10)11)12-5(3)13-6/h4H,1-3H3
InChIKeySJYKVCFTEZRGSF-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.59
Rot. Bonds1

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

2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 59519148) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID59519148
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(C(C)C)s1
InChIInChI=1S/C8H10F3NS/c1-4(2)6-7(8(9,10)11)12-5(3)13-6/h4H,1-3H3
InChIKeySJYKVCFTEZRGSF-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 2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole (CID 59519148) is 2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)c(C(C)C)s1.
What is the InChIKey of 2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SJYKVCFTEZRGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-4(2)6-7(8(9,10)11)12-5(3)13-6/h4H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole?
2-methyl-5-propan-2-yl-4-(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 2-methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 59519148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).