1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone

C10H13F3N2OS — CID 64543631

IUPAC1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCCCN(CC(F)(F)F)c1nc(C(C)=O)cs1
InChIInChI=1S/C10H13F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-8(5-17-9)7(2)16/h5H,3-4,6H2,1-2H3
InChIKeyFALZHJNMZNRKFL-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.12
Rot. Bonds5

About 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone

1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone (PubChem CID 64543631) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone
PubChem CID64543631
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone
SMILESCCCN(CC(F)(F)F)c1nc(C(C)=O)cs1
InChIInChI=1S/C10H13F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-8(5-17-9)7(2)16/h5H,3-4,6H2,1-2H3
InChIKeyFALZHJNMZNRKFL-UHFFFAOYSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone (CID 64543631) is 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone is CCCN(CC(F)(F)F)c1nc(C(C)=O)cs1.
What is the InChIKey of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone?
The InChIKey is FALZHJNMZNRKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-8(5-17-9)7(2)16/h5H,3-4,6H2,1-2H3.
What are the key properties of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone?
1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone has a molecular weight of 266.29 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64543631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).