2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide

C9H12F3N3OS — CID 75521388

IUPAC2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide
SMILESCCC(NCC(N)=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H12F3N3OS/c1-2-5(14-3-7(13)16)8-15-6(4-17-8)9(10,11)12/h4-5,14H,2-3H2,1H3,(H2,13,16)
InChIKeyDGEBXORGYPZIKV-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.69
Rot. Bonds5

About 2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide

2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide (PubChem CID 75521388) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide
PubChem CID75521388
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide
SMILESCCC(NCC(N)=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H12F3N3OS/c1-2-5(14-3-7(13)16)8-15-6(4-17-8)9(10,11)12/h4-5,14H,2-3H2,1H3,(H2,13,16)
InChIKeyDGEBXORGYPZIKV-UHFFFAOYSA-N
XLogP1.69
TPSA68.01 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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide?
The IUPAC name of 2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide (CID 75521388) is 2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide is CCC(NCC(N)=O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide?
The InChIKey is DGEBXORGYPZIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-2-5(14-3-7(13)16)8-15-6(4-17-8)9(10,11)12/h4-5,14H,2-3H2,1H3,(H2,13,16).
What are the key properties of 2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide?
2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide has a molecular weight of 267.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide is sourced from PubChem (CID 75521388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).