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

C10H9ClF3N3O2S — CID 122656779

IUPAC2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
SMILESCl.NC(=O)C(N)c1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C10H8F3N3O2S.ClH/c11-10(12,13)18-4-1-2-5-6(3-4)19-9(16-5)7(14)8(15)17;/h1-3,7H,14H2,(H2,15,17);1H
InChIKeyKAUXKTWETQHZOD-UHFFFAOYSA-N
MW327.72 g/mol
LogP2.10
Rot. Bonds3

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

2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride (PubChem CID 122656779) has the molecular formula C10H9ClF3N3O2S and a molecular weight of 327.72 g/mol. Its IUPAC name is 2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
PubChem CID122656779
Molecular FormulaC10H9ClF3N3O2S
Molecular Weight327.72 g/mol
Exact Mass327.01
IUPAC Name2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
SMILESCl.NC(=O)C(N)c1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C10H8F3N3O2S.ClH/c11-10(12,13)18-4-1-2-5-6(3-4)19-9(16-5)7(14)8(15)17;/h1-3,7H,14H2,(H2,15,17);1H
InChIKeyKAUXKTWETQHZOD-UHFFFAOYSA-N
XLogP2.10
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
CID 145148920
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
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
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methanamine
CID 162561361
2-methylsulfanyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 44820103
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] benzoate
CID 57027275
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
2-amino-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625103
2-acetamido-2-amino-N-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 145148912
2-(2-aminopropanoylamino)-2-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 122625153

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride (CID 122656779) is 2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride is Cl.NC(=O)C(N)c1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of 2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride?
The InChIKey is KAUXKTWETQHZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S.ClH/c11-10(12,13)18-4-1-2-5-6(3-4)19-9(16-5)7(14)8(15)17;/h1-3,7H,14H2,(H2,15,17);1H.
What are the key properties of 2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride?
2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride has a molecular weight of 327.72 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 122656779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).