2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride

C11H12ClF2N3OS — CID 119308986

IUPAC2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1nc2cc(F)c(F)cc2s1.Cl
InChIInChI=1S/C11H11F2N3OS.ClH/c1-11(2,14)9(17)16-10-15-7-3-5(12)6(13)4-8(7)18-10;/h3-4H,14H2,1-2H3,(H,15,16,17);1H
InChIKeyIYXWZTACVKIEEV-UHFFFAOYSA-N
MW307.75 g/mol
LogP2.67
Rot. Bonds2

About 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride

2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride (PubChem CID 119308986) has the molecular formula C11H12ClF2N3OS and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride
PubChem CID119308986
Molecular FormulaC11H12ClF2N3OS
Molecular Weight307.75 g/mol
Exact Mass307.04
IUPAC Name2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1nc2cc(F)c(F)cc2s1.Cl
InChIInChI=1S/C11H11F2N3OS.ClH/c1-11(2,14)9(17)16-10-15-7-3-5(12)6(13)4-8(7)18-10;/h3-4H,14H2,1-2H3,(H,15,16,17);1H
InChIKeyIYXWZTACVKIEEV-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide
CID 51370683
3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119758517
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 91742187
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
CID 99285585
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120790634
N-(5,6-difluoro-1,3-benzothiazol-2-yl)imidazole-1-carboxamide
CID 88547492
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 47086370

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride (CID 119308986) is 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)Nc1nc2cc(F)c(F)cc2s1.Cl.
What is the InChIKey of 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride?
The InChIKey is IYXWZTACVKIEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3OS.ClH/c1-11(2,14)9(17)16-10-15-7-3-5(12)6(13)4-8(7)18-10;/h3-4H,14H2,1-2H3,(H,15,16,17);1H.
What are the key properties of 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride?
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride has a molecular weight of 307.75 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119308986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).