N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride

C15H15ClF6N4O3S — CID 122624832

IUPACN-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNCC(F)(F)F.Cl
InChIInChI=1S/C15H14F6N4O3S.ClH/c1-25(12(27)5-22-7-14(16,17)18)6-11(26)24-13-23-9-3-2-8(4-10(9)29-13)28-15(19,20)21;/h2-4,22H,5-7H2,1H3,(H,23,24,26);1H
InChIKeyUMASNTQEPQLYNE-UHFFFAOYSA-N
MW480.82 g/mol
LogP3.17
Rot. Bonds7

About N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride

N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride (PubChem CID 122624832) has the molecular formula C15H15ClF6N4O3S and a molecular weight of 480.82 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride
PubChem CID122624832
Molecular FormulaC15H15ClF6N4O3S
Molecular Weight480.82 g/mol
Exact Mass480.05
IUPAC NameN-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNCC(F)(F)F.Cl
InChIInChI=1S/C15H14F6N4O3S.ClH/c1-25(12(27)5-22-7-14(16,17)18)6-11(26)24-13-23-9-3-2-8(4-10(9)29-13)28-15(19,20)21;/h2-4,22H,5-7H2,1H3,(H,23,24,26);1H
InChIKeyUMASNTQEPQLYNE-UHFFFAOYSA-N
XLogP3.17
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.82
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride with MolForge

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Related Compounds

2-methyl-N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]amino]-2-oxoethyl]propanamide
CID 122625083
4-methyl-N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]amino]-2-oxoethyl]pentanamide
CID 156566187
(2R)-2-amino-N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625092
2-[methyl(propylaminomethylsulfonyl)amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 155613720
2-(ethylamino)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122624925
2-[acetyl(propan-2-yl)amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 175748161
3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride
CID 119275185
4-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide;hydrochloride
CID 119275202
1-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclobutane-1-carboxamide
CID 122624961
2-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclopropane-1-carboxamide
CID 42958187
2-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625103
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride (CID 122624832) is N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride is CN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNCC(F)(F)F.Cl.
What is the InChIKey of N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride?
The InChIKey is UMASNTQEPQLYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N4O3S.ClH/c1-25(12(27)5-22-7-14(16,17)18)6-11(26)24-13-23-9-3-2-8(4-10(9)29-13)28-15(19,20)21;/h2-4,22H,5-7H2,1H3,(H,23,24,26);1H.
What are the key properties of N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride?
N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride has a molecular weight of 480.82 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide;hydrochloride is sourced from PubChem (CID 122624832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).