2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride

C15H19ClF3N3O2S — CID 119719229

IUPAC2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1.Cl
InChIInChI=1S/C15H18F3N3O2S.ClH/c1-3-6-14(2,19)12(22)21-13-20-10-5-4-9(7-11(10)24-13)23-8-15(16,17)18;/h4-5,7H,3,6,8,19H2,1-2H3,(H,20,21,22);1H
InChIKeyIHDIGBHRLQYOIU-UHFFFAOYSA-N
MW397.85 g/mol
LogP4.12
Rot. Bonds6

About 2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride

2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride (PubChem CID 119719229) has the molecular formula C15H19ClF3N3O2S and a molecular weight of 397.85 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride
PubChem CID119719229
Molecular FormulaC15H19ClF3N3O2S
Molecular Weight397.85 g/mol
Exact Mass397.08
IUPAC Name2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1.Cl
InChIInChI=1S/C15H18F3N3O2S.ClH/c1-3-6-14(2,19)12(22)21-13-20-10-5-4-9(7-11(10)24-13)23-8-15(16,17)18;/h4-5,7H,3,6,8,19H2,1-2H3,(H,20,21,22);1H
InChIKeyIHDIGBHRLQYOIU-UHFFFAOYSA-N
XLogP4.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 119719194
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide
CID 39051458
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride
CID 119677119
5,6-dichloro-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 55675885
2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 119719224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 119719212
(2S)-2-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119672163
2-(2-nitrophenyl)-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 39055134
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 39054968
butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
CID 108747722

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride (CID 119719229) is 2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride?
The InChIKey is IHDIGBHRLQYOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2S.ClH/c1-3-6-14(2,19)12(22)21-13-20-10-5-4-9(7-11(10)24-13)23-8-15(16,17)18;/h4-5,7H,3,6,8,19H2,1-2H3,(H,20,21,22);1H.
What are the key properties of 2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride has a molecular weight of 397.85 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride is sourced from PubChem (CID 119719229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).