2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide

C13H21N3OS — CID 54968287

IUPAC2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C13H21N3OS/c1-2-3-6-9(14)12(17)16-13-15-10-7-4-5-8-11(10)18-13/h9H,2-8,14H2,1H3,(H,15,16,17)
InChIKeyOGSMXYCVIOROCD-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.48
Rot. Bonds5

About 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide

2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide (PubChem CID 54968287) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide
PubChem CID54968287
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide
SMILESCCCCC(N)C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C13H21N3OS/c1-2-3-6-9(14)12(17)16-13-15-10-7-4-5-8-11(10)18-13/h9H,2-8,14H2,1H3,(H,15,16,17)
InChIKeyOGSMXYCVIOROCD-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)hexanamide
CID 94225182
2-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pentanamide
CID 119277043
2-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide
CID 3151966
(2S)-2-amino-4-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119290952
(2S)-2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-methylpentanamide
CID 119743841
(2R)-2-amino-4-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 87753791
2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanediamide;hydrochloride
CID 119955825
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylpentanamide
CID 54963199
(2S)-2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119290962
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide
CID 79013354
2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
CID 112760910

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide?
The IUPAC name of 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide (CID 54968287) is 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide.
What is the SMILES notation for 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide?
The canonical SMILES for 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide is CCCCC(N)C(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide?
The InChIKey is OGSMXYCVIOROCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-3-6-9(14)12(17)16-13-15-10-7-4-5-8-11(10)18-13/h9H,2-8,14H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide?
2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide has a molecular weight of 267.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexanamide is sourced from PubChem (CID 54968287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).