3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

C11H13F3N2OS — CID 71898447

IUPAC3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C11H13F3N2OS/c12-11(13,14)6-9(17)16-10-15-7-4-2-1-3-5-8(7)18-10/h1-6H2,(H,15,16,17)
InChIKeyIRIDWYGIFCELJA-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.30
Rot. Bonds2

About 3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide (PubChem CID 71898447) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
PubChem CID71898447
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C11H13F3N2OS/c12-11(13,14)6-9(17)16-10-15-7-4-2-1-3-5-8(7)18-10/h1-6H2,(H,15,16,17)
InChIKeyIRIDWYGIFCELJA-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide (CID 71898447) is 3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide is O=C(CC(F)(F)F)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The InChIKey is IRIDWYGIFCELJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c12-11(13,14)6-9(17)16-10-15-7-4-2-1-3-5-8(7)18-10/h1-6H2,(H,15,16,17).
What are the key properties of 3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide has a molecular weight of 278.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide is sourced from PubChem (CID 71898447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).