3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide

C14H18F3N3O2S — CID 71983921

IUPAC3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCc1cscn1)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O2S/c15-14(16,17)13(22)20-5-3-10(4-6-20)7-18-12(21)2-1-11-8-23-9-19-11/h8-10H,1-7H2,(H,18,21)
InChIKeyCRPLASGIXPXBJM-UHFFFAOYSA-N
MW349.38 g/mol
LogP1.99
Rot. Bonds5

About 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide

3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide (PubChem CID 71983921) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
PubChem CID71983921
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC Name3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CCc1cscn1)NCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O2S/c15-14(16,17)13(22)20-5-3-10(4-6-20)7-18-12(21)2-1-11-8-23-9-19-11/h8-10H,1-7H2,(H,18,21)
InChIKeyCRPLASGIXPXBJM-UHFFFAOYSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide with MolForge

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Related Compounds

tert-butyl 4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103730250
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932878
2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71866670
tert-butyl N-[3-oxo-3-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919197
2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 108932815
N-cyclohexyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679381
1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 49481828
2-(1-hydroxycyclopentyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 111540531
N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 119501389
N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679374
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide (CID 71983921) is 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide is O=C(CCc1cscn1)NCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is CRPLASGIXPXBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2S/c15-14(16,17)13(22)20-5-3-10(4-6-20)7-18-12(21)2-1-11-8-23-9-19-11/h8-10H,1-7H2,(H,18,21).
What are the key properties of 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide?
3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 349.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 71983921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).