4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole

C10H10F3N3OS2 — CID 167964684

IUPAC4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole
SMILESCc1ncsc1CS(=O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C10H10F3N3OS2/c1-6-7(18-5-14-6)4-19(17)8-3-15-16(2)9(8)10(11,12)13/h3,5H,4H2,1-2H3
InChIKeyNUNXFSQPOHIGMG-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.51
Rot. Bonds3

About 4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole

4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole (PubChem CID 167964684) has the molecular formula C10H10F3N3OS2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole
PubChem CID167964684
Molecular FormulaC10H10F3N3OS2
Molecular Weight309.34 g/mol
Exact Mass309.02
IUPAC Name4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole
SMILESCc1ncsc1CS(=O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C10H10F3N3OS2/c1-6-7(18-5-14-6)4-19(17)8-3-15-16(2)9(8)10(11,12)13/h3,5H,4H2,1-2H3
InChIKeyNUNXFSQPOHIGMG-UHFFFAOYSA-N
XLogP2.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole
CID 129400184
4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 84593023
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(trifluoromethyl)imidazole-4-carbonitrile
CID 126823873
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid
CID 62071343
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
CID 66818170
CID 66818170
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 55170334
1,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-nitropyrazol-5-amine
CID 63280496
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
1-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)pyrazole
CID 178150124
5-ethylsulfinyl-4-methyl-1,3-thiazole
CID 138532116
2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone
CID 62582335

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole (CID 167964684) is 4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole is Cc1ncsc1CS(=O)c1cnn(C)c1C(F)(F)F.
What is the InChIKey of 4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole?
The InChIKey is NUNXFSQPOHIGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3OS2/c1-6-7(18-5-14-6)4-19(17)8-3-15-16(2)9(8)10(11,12)13/h3,5H,4H2,1-2H3.
What are the key properties of 4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole?
4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole has a molecular weight of 309.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole is sourced from PubChem (CID 167964684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).