2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C12H16F3N3OS — CID 71983373

IUPAC2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1(c2nccs2)CCCC1)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)8-17-9(19)7-18-11(3-1-2-4-11)10-16-5-6-20-10/h5-6,18H,1-4,7-8H2,(H,17,19)
InChIKeyXHUWBMHKZVHVJT-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.18
Rot. Bonds5

About 2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71983373) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71983373
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1(c2nccs2)CCCC1)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)8-17-9(19)7-18-11(3-1-2-4-11)10-16-5-6-20-10/h5-6,18H,1-4,7-8H2,(H,17,19)
InChIKeyXHUWBMHKZVHVJT-UHFFFAOYSA-N
XLogP2.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.18
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
1-(3,5-Dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone
CID 71923329
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
N-[1-(1,3-thiazol-2-yl)cyclopentyl]acetamide
CID 72012134
2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630331
(2R)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 53800979
(2S)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 57202674
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]amino]pentanamide
CID 87345784
5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(5,5,5-trifluoro-4-oxopentyl)-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 130348665
N-[6-(2,2,2-trifluoroethylamino)spiro[3.3]heptan-2-yl]-1,3-thiazole-2-carboxamide
CID 176124639
N-[2-(2,2,2-trifluoroethyl)-2-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-2-carboxamide
CID 176124647

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 71983373) is 2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC1(c2nccs2)CCCC1)NCC(F)(F)F.
What is the InChIKey of 2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XHUWBMHKZVHVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c13-12(14,15)8-17-9(19)7-18-11(3-1-2-4-11)10-16-5-6-20-10/h5-6,18H,1-4,7-8H2,(H,17,19).
What are the key properties of 2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 307.34 g/mol, XLogP of 2.18, 5 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)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71983373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).