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

C14H19N3OS2 — CID 60853488

IUPAC2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc2nc(SC)sc2c1
InChIInChI=1S/C14H19N3OS2/c1-3-4-5-10(15)13(18)16-9-6-7-11-12(8-9)20-14(17-11)19-2/h6-8,10H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyZHDSZHWYECKRSQ-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.47
Rot. Bonds6

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

2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide (PubChem CID 60853488) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide
PubChem CID60853488
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc2nc(SC)sc2c1
InChIInChI=1S/C14H19N3OS2/c1-3-4-5-10(15)13(18)16-9-6-7-11-12(8-9)20-14(17-11)19-2/h6-8,10H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyZHDSZHWYECKRSQ-UHFFFAOYSA-N
XLogP3.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide
CID 104683865
2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
CID 103832730
(2S)-2-(carbamoylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 32554657
(2S)-2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfanylbutanamide
CID 61179063
3-amino-2,2,3-trimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide
CID 65264454
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 60852925
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 107143831
2-methylsulfanyl-N-octan-2-yl-1,3-benzothiazol-6-amine
CID 63426863
2-methylsulfanyl-N-pentyl-1,3-benzothiazol-6-amine
CID 43228519
ethyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoate
CID 26850848
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 47411212
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide?
The IUPAC name of 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide (CID 60853488) is 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide.
What is the SMILES notation for 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide?
The canonical SMILES for 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide is CCCCC(N)C(=O)Nc1ccc2nc(SC)sc2c1.
What is the InChIKey of 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide?
The InChIKey is ZHDSZHWYECKRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-3-4-5-10(15)13(18)16-9-6-7-11-12(8-9)20-14(17-11)19-2/h6-8,10H,3-5,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide?
2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide has a molecular weight of 309.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)hexanamide is sourced from PubChem (CID 60853488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).