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

C10H12F3N3OS — CID 78958416

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)5-14-3-8(17)16-9-15-7(4-18-9)6-1-2-6/h4,6,14H,1-3,5H2,(H,15,16,17)
InChIKeyKGDKNVQVGKFCDM-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.11
Rot. Bonds5

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

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958416) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958416
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)5-14-3-8(17)16-9-15-7(4-18-9)6-1-2-6/h4,6,14H,1-3,5H2,(H,15,16,17)
InChIKeyKGDKNVQVGKFCDM-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
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-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958416) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KGDKNVQVGKFCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)5-14-3-8(17)16-9-15-7(4-18-9)6-1-2-6/h4,6,14H,1-3,5H2,(H,15,16,17).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 279.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 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-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).