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

C11H12ClF2N3OS — CID 119758517

IUPAC3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1nc2cc(F)c(F)cc2s1.Cl
InChIInChI=1S/C11H11F2N3OS.ClH/c1-5(14)2-10(17)16-11-15-8-3-6(12)7(13)4-9(8)18-11;/h3-5H,2,14H2,1H3,(H,15,16,17);1H
InChIKeyQIZDQAANMFUPLP-UHFFFAOYSA-N
MW307.75 g/mol
LogP2.67
Rot. Bonds3

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

3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride (PubChem CID 119758517) has the molecular formula C11H12ClF2N3OS and a molecular weight of 307.75 g/mol. Its IUPAC name is 3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
PubChem CID119758517
Molecular FormulaC11H12ClF2N3OS
Molecular Weight307.75 g/mol
Exact Mass307.04
IUPAC Name3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1nc2cc(F)c(F)cc2s1.Cl
InChIInChI=1S/C11H11F2N3OS.ClH/c1-5(14)2-10(17)16-11-15-8-3-6(12)7(13)4-9(8)18-11;/h3-5H,2,14H2,1H3,(H,15,16,17);1H
InChIKeyQIZDQAANMFUPLP-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze 3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;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

3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119308986
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide
CID 56538986
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 953037
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 120790634
2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179976
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 119735313
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120558679
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
CID 99285585
2-[[1-carboxy-3-[(5,6-dichloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]amino]-4-methylpentanoic acid
CID 23573061

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride (CID 119758517) is 3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride is CC(N)CC(=O)Nc1nc2cc(F)c(F)cc2s1.Cl.
What is the InChIKey of 3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride?
The InChIKey is QIZDQAANMFUPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3OS.ClH/c1-5(14)2-10(17)16-11-15-8-3-6(12)7(13)4-9(8)18-11;/h3-5H,2,14H2,1H3,(H,15,16,17);1H.
What are the key properties of 3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride?
3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride has a molecular weight of 307.75 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 119758517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).