2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C8H10F3N3OS — CID 115732102

IUPAC2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1cncs1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)4-14-7(15)3-12-1-6-2-13-5-16-6/h2,5,12H,1,3-4H2,(H,14,15)
InChIKeyMXEPNEMAIZRMFE-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.91
Rot. Bonds5

About 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115732102) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115732102
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1cncs1)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)4-14-7(15)3-12-1-6-2-13-5-16-6/h2,5,12H,1,3-4H2,(H,14,15)
InChIKeyMXEPNEMAIZRMFE-UHFFFAOYSA-N
XLogP0.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 115732102) is 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCc1cncs1)NCC(F)(F)F.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MXEPNEMAIZRMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)4-14-7(15)3-12-1-6-2-13-5-16-6/h2,5,12H,1,3-4H2,(H,14,15).
What are the key properties of 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 253.25 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115732102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).