2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide

C15H21N3OS — CID 60937392

IUPAC2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)Cc1nc2ccccc2s1
InChIInChI=1S/C15H21N3OS/c1-3-4-7-11(16)15(19)18(2)10-14-17-12-8-5-6-9-13(12)20-14/h5-6,8-9,11H,3-4,7,10,16H2,1-2H3
InChIKeyZKKMDTYBAAJGKJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.77
Rot. Bonds6

About 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide

2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide (PubChem CID 60937392) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide
PubChem CID60937392
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)Cc1nc2ccccc2s1
InChIInChI=1S/C15H21N3OS/c1-3-4-7-11(16)15(19)18(2)10-14-17-12-8-5-6-9-13(12)20-14/h5-6,8-9,11H,3-4,7,10,16H2,1-2H3
InChIKeyZKKMDTYBAAJGKJ-UHFFFAOYSA-N
XLogP2.77
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-3-phenylpropanamide
CID 119835324
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyrazol-1-ylbutanamide
CID 97122893
1-(1,3-benzothiazol-2-yl)-3-ethylheptan-2-one
CID 43125597
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 81492934
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 8803349
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039
(2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(phenylcarbamoylamino)propanamide
CID 31734325
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
CID 93367881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide (CID 60937392) is 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide is CCCCC(N)C(=O)N(C)Cc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide?
The InChIKey is ZKKMDTYBAAJGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-4-7-11(16)15(19)18(2)10-14-17-12-8-5-6-9-13(12)20-14/h5-6,8-9,11H,3-4,7,10,16H2,1-2H3.
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide?
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide has a molecular weight of 291.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylhexanamide is sourced from PubChem (CID 60937392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).