4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride

C12H19ClF3N3OS — CID 120563791

IUPAC4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride
SMILESCCC(NC(=O)CCC(C)N)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C12H18F3N3OS.ClH/c1-3-8(17-10(19)5-4-7(2)16)11-18-9(6-20-11)12(13,14)15;/h6-8H,3-5,16H2,1-2H3,(H,17,19);1H
InChIKeyTXJJODMREOGZEB-UHFFFAOYSA-N
MW345.82 g/mol
LogP3.28
Rot. Bonds6

About 4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride

4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride (PubChem CID 120563791) has the molecular formula C12H19ClF3N3OS and a molecular weight of 345.82 g/mol. Its IUPAC name is 4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride
PubChem CID120563791
Molecular FormulaC12H19ClF3N3OS
Molecular Weight345.82 g/mol
Exact Mass345.09
IUPAC Name4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride
SMILESCCC(NC(=O)CCC(C)N)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C12H18F3N3OS.ClH/c1-3-8(17-10(19)5-4-7(2)16)11-18-9(6-20-11)12(13,14)15;/h6-8H,3-5,16H2,1-2H3,(H,17,19);1H
InChIKeyTXJJODMREOGZEB-UHFFFAOYSA-N
XLogP3.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 119340890
3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride
CID 120611631
3,3-dimethyl-5-oxo-5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pentanoic acid
CID 119139751
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 95906732
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide
CID 120637734
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
CID 71985953
(2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 95906652
1-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 102553878
2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride
CID 119940258
2-hydroxy-2-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 111540942
5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide
CID 95906724
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119340899

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride (CID 120563791) is 4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride is CCC(NC(=O)CCC(C)N)c1nc(C(F)(F)F)cs1.Cl.
What is the InChIKey of 4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride?
The InChIKey is TXJJODMREOGZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS.ClH/c1-3-8(17-10(19)5-4-7(2)16)11-18-9(6-20-11)12(13,14)15;/h6-8H,3-5,16H2,1-2H3,(H,17,19);1H.
What are the key properties of 4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride?
4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride has a molecular weight of 345.82 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride is sourced from PubChem (CID 120563791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).