4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole

C9H12F3NS — CID 167073977

IUPAC4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
SMILESCc1csc(CC(C)(C)C(F)(F)F)n1
InChIInChI=1S/C9H12F3NS/c1-6-5-14-7(13-6)4-8(2,3)9(10,11)12/h5H,4H2,1-3H3
InChIKeyRZINGNSEUPNLMS-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.58
Rot. Bonds2

About 4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole

4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 167073977) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
PubChem CID167073977
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
SMILESCc1csc(CC(C)(C)C(F)(F)F)n1
InChIInChI=1S/C9H12F3NS/c1-6-5-14-7(13-6)4-8(2,3)9(10,11)12/h5H,4H2,1-3H3
InChIKeyRZINGNSEUPNLMS-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-methyl-1,3-thiazole
CID 27440
2-[2-(chloromethyl)-2-methylbut-3-enyl]-4-methyl-1,3-thiazole
CID 102641983
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol
CID 104656324
5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 64567637
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 60706687
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 83384873
[1-chloro-1,1-difluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105265468

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole (CID 167073977) is 4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole is Cc1csc(CC(C)(C)C(F)(F)F)n1.
What is the InChIKey of 4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole?
The InChIKey is RZINGNSEUPNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-6-5-14-7(13-6)4-8(2,3)9(10,11)12/h5H,4H2,1-3H3.
What are the key properties of 4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole?
4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 223.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 167073977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).