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

C10H8ClF3N2O2S — CID 145148920

IUPAC2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
SMILESCl.NC(=O)Cc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C10H7F3N2O2S.ClH/c11-10(12,13)17-5-1-2-6-7(3-5)18-9(15-6)4-8(14)16;/h1-3H,4H2,(H2,14,16);1H
InChIKeyRUMJXUNLRIPNKD-UHFFFAOYSA-N
MW312.70 g/mol
LogP2.64
Rot. Bonds3

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

2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride (PubChem CID 145148920) has the molecular formula C10H8ClF3N2O2S and a molecular weight of 312.70 g/mol. Its IUPAC name is 2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
PubChem CID145148920
Molecular FormulaC10H8ClF3N2O2S
Molecular Weight312.70 g/mol
Exact Mass311.99
IUPAC Name2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
SMILESCl.NC(=O)Cc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C10H7F3N2O2S.ClH/c11-10(12,13)17-5-1-2-6-7(3-5)18-9(15-6)4-8(14)16;/h1-3H,4H2,(H2,14,16);1H
InChIKeyRUMJXUNLRIPNKD-UHFFFAOYSA-N
XLogP2.64
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methanamine
CID 162561361
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
2-amino-2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride
CID 122656779
3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride
CID 119275185
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
4-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide;hydrochloride
CID 119275202
2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 156595781
[4-oxo-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]butyl] carbamate
CID 122625133
N-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methyl]prop-2-yn-1-amine
CID 56960296
2-(ethylamino)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122624925
(2R)-2-amino-N-methyl-N-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]propanamide
CID 122625092
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] benzoate
CID 57027275

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride (CID 145148920) is 2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride is Cl.NC(=O)Cc1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of 2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride?
The InChIKey is RUMJXUNLRIPNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S.ClH/c11-10(12,13)17-5-1-2-6-7(3-5)18-9(15-6)4-8(14)16;/h1-3H,4H2,(H2,14,16);1H.
What are the key properties of 2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride?
2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride has a molecular weight of 312.70 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 145148920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).