2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole

C10H9F3N2OS3 — CID 166232867

IUPAC2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole
SMILESCc1ncc(CS(=O)Cc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C10H9F3N2OS3/c1-6-14-2-7(18-6)4-19(16)5-9-15-8(3-17-9)10(11,12)13/h2-3H,4-5H2,1H3
InChIKeySSIOKVLXTYBCSX-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.38
Rot. Bonds4

About 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole

2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole (PubChem CID 166232867) has the molecular formula C10H9F3N2OS3 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole
PubChem CID166232867
Molecular FormulaC10H9F3N2OS3
Molecular Weight326.39 g/mol
Exact Mass325.98
IUPAC Name2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole
SMILESCc1ncc(CS(=O)Cc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C10H9F3N2OS3/c1-6-14-2-7(18-6)4-19(16)5-9-15-8(3-17-9)10(11,12)13/h2-3H,4-5H2,1H3
InChIKeySSIOKVLXTYBCSX-UHFFFAOYSA-N
XLogP3.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole (CID 166232867) is 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole is Cc1ncc(CS(=O)Cc2nc(C(F)(F)F)cs2)s1.
What is the InChIKey of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole?
The InChIKey is SSIOKVLXTYBCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS3/c1-6-14-2-7(18-6)4-19(16)5-9-15-8(3-17-9)10(11,12)13/h2-3H,4-5H2,1H3.
What are the key properties of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole?
2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole has a molecular weight of 326.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfinylmethyl]-1,3-thiazole is sourced from PubChem (CID 166232867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).