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

C9H12F3NS — CID 118516110

IUPAC4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)Cc1csc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3NS/c1-8(2,3)4-6-5-14-7(13-6)9(10,11)12/h5H,4H2,1-3H3
InChIKeyYRSJIYJJDDTEIH-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.75
Rot. Bonds1

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

4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 118516110) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID118516110
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)Cc1csc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3NS/c1-8(2,3)4-6-5-14-7(13-6)9(10,11)12/h5H,4H2,1-3H3
InChIKeyYRSJIYJJDDTEIH-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-4-propylthiazole
CID 53754611
4-Butyl-2-methylthiazole
CID 574804
2,4-Dipropylthiazole
CID 588182
2-Butyl-4-propylthiazole
CID 55295885
2-(1-Methylethyl)-4-propylthiazole
CID 54281113
2-Methyl-4-propylthiazole
CID 39071
4-(Butan-2-yl)-2-methyl-1,3-thiazole
CID 67665666
2-Pentyl-4-propylthiazole
CID 55271530
2-Bromo-4-(2,2-dimethylpropyl)-1,3-thiazole
CID 165589850
2-Bromo-4-(1-(trifluoromethyl)cyclopropyl)-1,3-thiazole
CID 165978690
4-Cyclobutyl-2-methylthiazole
CID 11073627
2-Methyl-4-neopentyl-thiazol
CID 20774316

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole (CID 118516110) is 4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole is CC(C)(C)Cc1csc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YRSJIYJJDDTEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-8(2,3)4-6-5-14-7(13-6)9(10,11)12/h5H,4H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 223.26 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 118516110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).