N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide

C10H10F4N2O2S — CID 3890722

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
SMILESCOC(F)(C(=O)Nc1nc(C2CC2)cs1)C(F)(F)F
InChIInChI=1S/C10H10F4N2O2S/c1-18-9(11,10(12,13)14)7(17)16-8-15-6(4-19-8)5-2-3-5/h4-5H,2-3H2,1H3,(H,15,16,17)
InChIKeyOCQPJHBIDDGKSV-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.83
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide (PubChem CID 3890722) has the molecular formula C10H10F4N2O2S and a molecular weight of 298.26 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
PubChem CID3890722
Molecular FormulaC10H10F4N2O2S
Molecular Weight298.26 g/mol
Exact Mass298.04
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
SMILESCOC(F)(C(=O)Nc1nc(C2CC2)cs1)C(F)(F)F
InChIInChI=1S/C10H10F4N2O2S/c1-18-9(11,10(12,13)14)7(17)16-8-15-6(4-19-8)5-2-3-5/h4-5H,2-3H2,1H3,(H,15,16,17)
InChIKeyOCQPJHBIDDGKSV-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.83
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)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide (CID 3890722) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide is COC(F)(C(=O)Nc1nc(C2CC2)cs1)C(F)(F)F.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The InChIKey is OCQPJHBIDDGKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2S/c1-18-9(11,10(12,13)14)7(17)16-8-15-6(4-19-8)5-2-3-5/h4-5H,2-3H2,1H3,(H,15,16,17).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide has a molecular weight of 298.26 g/mol, XLogP of 2.83, 4 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)-2,3,3,3-tetrafluoro-2-methoxypropanamide is sourced from PubChem (CID 3890722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).