2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide

C12H10F3N3O2S2 — CID 71993376

IUPAC2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NCCc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C12H10F3N3O2S2/c13-12(14,15)8-5-22-9(18-8)1-2-17-11(20)7-3-6(4-21-7)10(16)19/h3-5H,1-2H2,(H2,16,19)(H,17,20)
InChIKeyZXFHAXDSRHVYCU-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.29
Rot. Bonds5

About 2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide

2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide (PubChem CID 71993376) has the molecular formula C12H10F3N3O2S2 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide
PubChem CID71993376
Molecular FormulaC12H10F3N3O2S2
Molecular Weight349.36 g/mol
Exact Mass349.02
IUPAC Name2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NCCc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C12H10F3N3O2S2/c13-12(14,15)8-5-22-9(18-8)1-2-17-11(20)7-3-6(4-21-7)10(16)19/h3-5H,1-2H2,(H2,16,19)(H,17,20)
InChIKeyZXFHAXDSRHVYCU-UHFFFAOYSA-N
XLogP2.29
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 71993341
2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide
CID 71993367
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571
1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 100651064
2-propyl-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111820928
3-amino-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119805400
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 119336013
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 46977755
2-methyl-N-[2-[[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]ethyl]propanamide
CID 111688602
4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide
CID 126770233
2-(3-methylbutyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111820895

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide (CID 71993376) is 2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)NCCc2nc(C(F)(F)F)cs2)c1.
What is the InChIKey of 2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide?
The InChIKey is ZXFHAXDSRHVYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S2/c13-12(14,15)8-5-22-9(18-8)1-2-17-11(20)7-3-6(4-21-7)10(16)19/h3-5H,1-2H2,(H2,16,19)(H,17,20).
What are the key properties of 2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide?
2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide has a molecular weight of 349.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 71993376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).