5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole

C8H8F3NOS2 — CID 147741392

IUPAC5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole
SMILESCc1cnc(S(=O)CCC(F)=C(F)F)s1
InChIInChI=1S/C8H8F3NOS2/c1-5-4-12-8(14-5)15(13)3-2-6(9)7(10)11/h4H,2-3H2,1H3
InChIKeyHAJUOZKVDGRBOG-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.03
Rot. Bonds4

About 5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole

5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole (PubChem CID 147741392) has the molecular formula C8H8F3NOS2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole
PubChem CID147741392
Molecular FormulaC8H8F3NOS2
Molecular Weight255.29 g/mol
Exact Mass255.00
IUPAC Name5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole
SMILESCc1cnc(S(=O)CCC(F)=C(F)F)s1
InChIInChI=1S/C8H8F3NOS2/c1-5-4-12-8(14-5)15(13)3-2-6(9)7(10)11/h4H,2-3H2,1H3
InChIKeyHAJUOZKVDGRBOG-UHFFFAOYSA-N
XLogP3.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole (CID 147741392) is 5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole is Cc1cnc(S(=O)CCC(F)=C(F)F)s1.
What is the InChIKey of 5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole?
The InChIKey is HAJUOZKVDGRBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS2/c1-5-4-12-8(14-5)15(13)3-2-6(9)7(10)11/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole?
5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole has a molecular weight of 255.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole is sourced from PubChem (CID 147741392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).