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

C13H17N3OS — CID 103832730

IUPAC2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H17N3OS/c1-2-3-4-10(14)13(17)16-9-5-6-11-12(7-9)18-8-15-11/h5-8,10H,2-4,14H2,1H3,(H,16,17)
InChIKeyYBNDQLCNOUDOCO-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.75
Rot. Bonds5

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

2-amino-N-(1,3-benzothiazol-6-yl)hexanamide (PubChem CID 103832730) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-6-yl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
PubChem CID103832730
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H17N3OS/c1-2-3-4-10(14)13(17)16-9-5-6-11-12(7-9)18-8-15-11/h5-8,10H,2-4,14H2,1H3,(H,16,17)
InChIKeyYBNDQLCNOUDOCO-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide
CID 60853488
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
CID 103809416
(2S)-2,5-diamino-N-[(2R)-1-(1,3-benzothiazol-6-ylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
CID 11718825
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
N-(1,3-benzothiazol-6-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107806503
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
CID 107144725
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)hexanamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)hexanamide (CID 103832730) is 2-amino-N-(1,3-benzothiazol-6-yl)hexanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-6-yl)hexanamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-6-yl)hexanamide is CCCCC(N)C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-6-yl)hexanamide?
The InChIKey is YBNDQLCNOUDOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-3-4-10(14)13(17)16-9-5-6-11-12(7-9)18-8-15-11/h5-8,10H,2-4,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(1,3-benzothiazol-6-yl)hexanamide?
2-amino-N-(1,3-benzothiazol-6-yl)hexanamide has a molecular weight of 263.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-6-yl)hexanamide is sourced from PubChem (CID 103832730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).