(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide

C13H16ClN3OS — CID 107143831

IUPAC(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H16ClN3OS/c1-2-3-4-9(15)12(18)17-13-16-10-6-5-8(14)7-11(10)19-13/h5-7,9H,2-4,15H2,1H3,(H,16,17,18)/t9-/m0/s1
InChIKeyQCCIMTCLBZBZKY-VIFPVBQESA-N
MW297.81 g/mol
LogP3.41
Rot. Bonds5

About (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide

(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide (PubChem CID 107143831) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
PubChem CID107143831
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H16ClN3OS/c1-2-3-4-9(15)12(18)17-13-16-10-6-5-8(14)7-11(10)19-13/h5-7,9H,2-4,15H2,1H3,(H,16,17,18)/t9-/m0/s1
InChIKeyQCCIMTCLBZBZKY-VIFPVBQESA-N
XLogP3.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 60852925
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide
CID 14285781
2-ethylhexyl N-(6-chloro-1,3-benzothiazol-2-yl)carbamate
CID 108739106
(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 29048022
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide
CID 60853488
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304724
2-amino-N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbutanamide
CID 43101771
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 18774937
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 169288590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide (CID 107143831) is (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide is CCCC[C@H](N)C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide?
The InChIKey is QCCIMTCLBZBZKY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-2-3-4-9(15)12(18)17-13-16-10-6-5-8(14)7-11(10)19-13/h5-7,9H,2-4,15H2,1H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide?
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide has a molecular weight of 297.81 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide is sourced from PubChem (CID 107143831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).