N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C11H15F3N2O2S — CID 63048204

IUPACN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1cscn1
InChIInChI=1S/C11H15F3N2O2S/c1-2-18-5-3-4-16(7-11(12,13)14)10(17)9-6-19-8-15-9/h6,8H,2-5,7H2,1H3
InChIKeyITMNFQQIDNJGIG-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.57
Rot. Bonds7

About N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 63048204) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID63048204
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1cscn1
InChIInChI=1S/C11H15F3N2O2S/c1-2-18-5-3-4-16(7-11(12,13)14)10(17)9-6-19-8-15-9/h6,8H,2-5,7H2,1H3
InChIKeyITMNFQQIDNJGIG-UHFFFAOYSA-N
XLogP2.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 103932997
(s)-(N-(3-trifluoroacetyl))-2-(1-acetamidoethyl) thiazole-4-carboxamide
CID 168059171
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
CID 71858990
N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95905650
N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 97051833
N-tert-butyl-N-(2-cyanoethyl)-1,3-thiazole-4-carboxamide
CID 100677218
[2-(Difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 121565148
(3,3-Difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130685234
N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63038078
4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carbaldehyde
CID 121307730
N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide
CID 123730947
(3-Fluoroazetidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130876038

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 63048204) is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)c1cscn1.
What is the InChIKey of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ITMNFQQIDNJGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-2-18-5-3-4-16(7-11(12,13)14)10(17)9-6-19-8-15-9/h6,8H,2-5,7H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63048204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).