1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone

C10H13F3N2OS — CID 114131154

IUPAC1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NC(C)CC(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c1-5(4-10(11,12)13)14-9-8(7(3)16)6(2)15-17-9/h5,14H,4H2,1-3H3
InChIKeyXKZSWVWKRYGXTB-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.41
Rot. Bonds4

About 1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone (PubChem CID 114131154) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone
PubChem CID114131154
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NC(C)CC(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c1-5(4-10(11,12)13)14-9-8(7(3)16)6(2)15-17-9/h5,14H,4H2,1-3H3
InChIKeyXKZSWVWKRYGXTB-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone (CID 114131154) is 1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NC(C)CC(F)(F)F.
What is the InChIKey of 1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone?
The InChIKey is XKZSWVWKRYGXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-5(4-10(11,12)13)14-9-8(7(3)16)6(2)15-17-9/h5,14H,4H2,1-3H3.
What are the key properties of 1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone has a molecular weight of 266.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 114131154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).