N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H11F3N2O2S — CID 86812543

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)5-17-3-8(16)15-9-14-7(4-18-9)6-1-2-6/h4,6H,1-3,5H2,(H,14,15,16)
InChIKeyAEEJGCBTJOMFPN-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.54
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86812543) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86812543
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)5-17-3-8(16)15-9-14-7(4-18-9)6-1-2-6/h4,6H,1-3,5H2,(H,14,15,16)
InChIKeyAEEJGCBTJOMFPN-UHFFFAOYSA-N
XLogP2.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86812543) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AEEJGCBTJOMFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-10(12,13)5-17-3-8(16)15-9-14-7(4-18-9)6-1-2-6/h4,6H,1-3,5H2,(H,14,15,16).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 280.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86812543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).