2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide

C8H9F3N2OS — CID 64590747

IUPAC2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCCC(NC(=O)C(F)(F)F)c1nccs1
InChIInChI=1S/C8H9F3N2OS/c1-2-5(6-12-3-4-15-6)13-7(14)8(9,10)11/h3-5H,2H2,1H3,(H,13,14)
InChIKeyOUHGJXNPVYDVIF-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.27
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide

2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 64590747) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
PubChem CID64590747
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCCC(NC(=O)C(F)(F)F)c1nccs1
InChIInChI=1S/C8H9F3N2OS/c1-2-5(6-12-3-4-15-6)13-7(14)8(9,10)11/h3-5H,2H2,1H3,(H,13,14)
InChIKeyOUHGJXNPVYDVIF-UHFFFAOYSA-N
XLogP2.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
2,2,2-trifluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 62492184
N-methyl thiazol-2-ylacetamide
CID 11073663
2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71983373
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237746
3-acetamido-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azetidine-1-carboxamide
CID 99830070
3,3,3-trifluoro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 122160091
2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 124573274
(2S)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129944

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide (CID 64590747) is 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide is CCC(NC(=O)C(F)(F)F)c1nccs1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is OUHGJXNPVYDVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-2-5(6-12-3-4-15-6)13-7(14)8(9,10)11/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 238.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 64590747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).