5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C9H12F3NS — CID 137444283

IUPAC5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCC(C)Cc1cnc(CC(F)(F)F)s1
InChIInChI=1S/C9H12F3NS/c1-6(2)3-7-5-13-8(14-7)4-9(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyVBHQZNMXBFENDD-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.45
Rot. Bonds3

About 5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 137444283) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID137444283
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCC(C)Cc1cnc(CC(F)(F)F)s1
InChIInChI=1S/C9H12F3NS/c1-6(2)3-7-5-13-8(14-7)4-9(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyVBHQZNMXBFENDD-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 137444283) is 5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is CC(C)Cc1cnc(CC(F)(F)F)s1.
What is the InChIKey of 5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is VBHQZNMXBFENDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-6(2)3-7-5-13-8(14-7)4-9(10,11)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 223.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 137444283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).