2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H16F3N3OS — CID 115641514

IUPAC2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(NC(C)C(=O)NCC(F)(F)F)c1nccs1
InChIInChI=1S/C11H16F3N3OS/c1-3-8(10-15-4-5-19-10)17-7(2)9(18)16-6-11(12,13)14/h4-5,7-8,17H,3,6H2,1-2H3,(H,16,18)
InChIKeyJPSWEBWUUYBUKN-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.25
Rot. Bonds6

About 2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115641514) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115641514
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(NC(C)C(=O)NCC(F)(F)F)c1nccs1
InChIInChI=1S/C11H16F3N3OS/c1-3-8(10-15-4-5-19-10)17-7(2)9(18)16-6-11(12,13)14/h4-5,7-8,17H,3,6H2,1-2H3,(H,16,18)
InChIKeyJPSWEBWUUYBUKN-UHFFFAOYSA-N
XLogP2.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
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
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006421
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 95901050
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237746
(2S)-2-(2,2-dimethylpropanoylamino)-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 122151537
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115641514) is 2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide is CCC(NC(C)C(=O)NCC(F)(F)F)c1nccs1.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JPSWEBWUUYBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-3-8(10-15-4-5-19-10)17-7(2)9(18)16-6-11(12,13)14/h4-5,7-8,17H,3,6H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 295.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115641514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).