3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride

C11H11ClF3N3O2S — CID 119275185

IUPAC3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C11H10F3N3O2S.ClH/c12-11(13,14)19-6-1-2-7-8(5-6)20-10(16-7)17-9(18)3-4-15;/h1-2,5H,3-4,15H2,(H,16,17,18);1H
InChIKeyXCSRAJRSVCKAIS-UHFFFAOYSA-N
MW341.74 g/mol
LogP2.90
Rot. Bonds4

About 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride

3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride (PubChem CID 119275185) has the molecular formula C11H11ClF3N3O2S and a molecular weight of 341.74 g/mol. Its IUPAC name is 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride
PubChem CID119275185
Molecular FormulaC11H11ClF3N3O2S
Molecular Weight341.74 g/mol
Exact Mass341.02
IUPAC Name3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C11H10F3N3O2S.ClH/c12-11(13,14)19-6-1-2-7-8(5-6)20-10(16-7)17-9(18)3-4-15;/h1-2,5H,3-4,15H2,(H,16,17,18);1H
InChIKeyXCSRAJRSVCKAIS-UHFFFAOYSA-N
XLogP2.90
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide;hydrochloride
CID 119275202
[4-oxo-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]butyl] carbamate
CID 122625133
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
2-(ethylamino)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122624925
4-pyrrolidin-1-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 122656794
2-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625103
2-amino-4-methyl-N-[4-oxo-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]butyl]pentanamide
CID 122624911
1-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclobutane-1-carboxamide
CID 122624961
(2R)-2-amino-N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625092
2-[acetyl(propan-2-yl)amino]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 175748161
(2S,5R)-5-(aminomethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120784969
2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
CID 145148920

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride (CID 119275185) is 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride is Cl.NCCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride?
The InChIKey is XCSRAJRSVCKAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S.ClH/c12-11(13,14)19-6-1-2-7-8(5-6)20-10(16-7)17-9(18)3-4-15;/h1-2,5H,3-4,15H2,(H,16,17,18);1H.
What are the key properties of 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride?
3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride has a molecular weight of 341.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119275185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).