2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide

C16H21N3OS — CID 90605360

IUPAC2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
SMILESCN(CC(=O)NC1CCCCC1)c1nc2ccccc2s1
InChIInChI=1S/C16H21N3OS/c1-19(11-15(20)17-12-7-3-2-4-8-12)16-18-13-9-5-6-10-14(13)21-16/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,20)
InChIKeyJHEBQRJMMHNDAE-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.18
Rot. Bonds4

About 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide

2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide (PubChem CID 90605360) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
PubChem CID90605360
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
SMILESCN(CC(=O)NC1CCCCC1)c1nc2ccccc2s1
InChIInChI=1S/C16H21N3OS/c1-19(11-15(20)17-12-7-3-2-4-8-12)16-18-13-9-5-6-10-14(13)21-16/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,20)
InChIKeyJHEBQRJMMHNDAE-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
CID 9215184
N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605410
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)acetamide
CID 9048067
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
(E)-3-(1,3-benzothiazol-2-yl)-N-cyclohexylprop-2-enamide
CID 7732680
2-[[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 8910317
2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
CID 60838670
N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90606084
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide
CID 25487919
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide
CID 71790247
N-(1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605436
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide (CID 90605360) is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide is CN(CC(=O)NC1CCCCC1)c1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide?
The InChIKey is JHEBQRJMMHNDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19(11-15(20)17-12-7-3-2-4-8-12)16-18-13-9-5-6-10-14(13)21-16/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,20).
What are the key properties of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide?
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide has a molecular weight of 303.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide is sourced from PubChem (CID 90605360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).