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

C13H19ClF3N3OS2 — CID 119940258

IUPAC2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride
SMILESCCC(NC(=O)CC1CSCCN1)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C13H18F3N3OS2.ClH/c1-2-9(12-19-10(7-22-12)13(14,15)16)18-11(20)5-8-6-21-4-3-17-8;/h7-9,17H,2-6H2,1H3,(H,18,20);1H
InChIKeyYAEJNPHYWVHYSV-UHFFFAOYSA-N
MW389.90 g/mol
LogP3.25
Rot. Bonds5

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

2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride (PubChem CID 119940258) has the molecular formula C13H19ClF3N3OS2 and a molecular weight of 389.90 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride
PubChem CID119940258
Molecular FormulaC13H19ClF3N3OS2
Molecular Weight389.90 g/mol
Exact Mass389.06
IUPAC Name2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride
SMILESCCC(NC(=O)CC1CSCCN1)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C13H18F3N3OS2.ClH/c1-2-9(12-19-10(7-22-12)13(14,15)16)18-11(20)5-8-6-21-4-3-17-8;/h7-9,17H,2-6H2,1H3,(H,18,20);1H
InChIKeyYAEJNPHYWVHYSV-UHFFFAOYSA-N
XLogP3.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119340899
3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 119340890
4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119813851
4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride
CID 120563791
N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 66421232
1-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 102553878
3,3-dimethyl-5-oxo-5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pentanoic acid
CID 119139751
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942195
N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936699
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]morpholine-2-carboxamide
CID 119813876
N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940344

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride?
The IUPAC name of 2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride (CID 119940258) is 2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride is CCC(NC(=O)CC1CSCCN1)c1nc(C(F)(F)F)cs1.Cl.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride?
The InChIKey is YAEJNPHYWVHYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS2.ClH/c1-2-9(12-19-10(7-22-12)13(14,15)16)18-11(20)5-8-6-21-4-3-17-8;/h7-9,17H,2-6H2,1H3,(H,18,20);1H.
What are the key properties of 2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride?
2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride has a molecular weight of 389.90 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride is sourced from PubChem (CID 119940258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).