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

C9H12F3N3OS — CID 115732133

IUPAC2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCc1cncs1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3OS/c1-6(8(16)15-4-9(10,11)12)14-3-7-2-13-5-17-7/h2,5-6,14H,3-4H2,1H3,(H,15,16)
InChIKeyKPSBBERJRDTYGR-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.30
Rot. Bonds5

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

2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115732133) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115732133
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCc1cncs1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3OS/c1-6(8(16)15-4-9(10,11)12)14-3-7-2-13-5-17-7/h2,5-6,14H,3-4H2,1H3,(H,15,16)
InChIKeyKPSBBERJRDTYGR-UHFFFAOYSA-N
XLogP1.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.30
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)propanamide?
The IUPAC name of 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115732133) is 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NCc1cncs1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KPSBBERJRDTYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-6(8(16)15-4-9(10,11)12)14-3-7-2-13-5-17-7/h2,5-6,14H,3-4H2,1H3,(H,15,16).
What are the key properties of 2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(1,3-thiazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 267.28 g/mol, XLogP of 1.30, 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)propanamide is sourced from PubChem (CID 115732133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).