2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide

C12H15F3N4O2S — CID 96525682

IUPAC2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)s1
InChIInChI=1S/C12H15F3N4O2S/c1-2-16-11-17-4-8(22-11)10(21)18-7-3-9(20)19(5-7)6-12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17)(H,18,21)/t7-/m0/s1
InChIKeyFYDALAPPZOPXGL-ZETCQYMHSA-N
MW336.34 g/mol
LogP1.47
Rot. Bonds5

About 2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide

2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 96525682) has the molecular formula C12H15F3N4O2S and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID96525682
Molecular FormulaC12H15F3N4O2S
Molecular Weight336.34 g/mol
Exact Mass336.09
IUPAC Name2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)s1
InChIInChI=1S/C12H15F3N4O2S/c1-2-16-11-17-4-8(22-11)10(21)18-7-3-9(20)19(5-7)6-12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17)(H,18,21)/t7-/m0/s1
InChIKeyFYDALAPPZOPXGL-ZETCQYMHSA-N
XLogP1.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide (CID 96525682) is 2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)s1.
What is the InChIKey of 2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is FYDALAPPZOPXGL-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15F3N4O2S/c1-2-16-11-17-4-8(22-11)10(21)18-7-3-9(20)19(5-7)6-12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17)(H,18,21)/t7-/m0/s1.
What are the key properties of 2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 96525682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).