2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide

C13H15F3N4OS2 — CID 120637734

IUPAC2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(CCN)n1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS2/c1-2-7(12-20-9(6-23-12)13(14,15)16)19-11(21)8-5-22-10(18-8)3-4-17/h5-7H,2-4,17H2,1H3,(H,19,21)
InChIKeyRMKNLDCVGJEICT-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.00
Rot. Bonds6

About 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide (PubChem CID 120637734) has the molecular formula C13H15F3N4OS2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide
PubChem CID120637734
Molecular FormulaC13H15F3N4OS2
Molecular Weight364.42 g/mol
Exact Mass364.06
IUPAC Name2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(CCN)n1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS2/c1-2-7(12-20-9(6-23-12)13(14,15)16)19-11(21)8-5-22-10(18-8)3-4-17/h5-7H,2-4,17H2,1H3,(H,19,21)
InChIKeyRMKNLDCVGJEICT-UHFFFAOYSA-N
XLogP3.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 119340890
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide
CID 95906724
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
CID 71985953
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120635511
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride
CID 120563791
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
CID 66389532
5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide
CID 146090228
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120620294
4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 99783883

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide (CID 120637734) is 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide is CCC(NC(=O)c1csc(CCN)n1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RMKNLDCVGJEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4OS2/c1-2-7(12-20-9(6-23-12)13(14,15)16)19-11(21)8-5-22-10(18-8)3-4-17/h5-7H,2-4,17H2,1H3,(H,19,21).
What are the key properties of 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120637734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).