(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide

C19H21N3OS — CID 8803612

IUPAC(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1nc2ccccc2s1
InChIInChI=1S/C19H21N3OS/c1-21(2)19(23)18(14-9-5-4-6-10-14)22(3)13-17-20-15-11-7-8-12-16(15)24-17/h4-12,18H,13H2,1-3H3/t18-/m0/s1
InChIKeyFOQMKLJYVSSIJD-SFHVURJKSA-N
MW339.46 g/mol
LogP3.56
Rot. Bonds5

About (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide

(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide (PubChem CID 8803612) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide
PubChem CID8803612
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1nc2ccccc2s1
InChIInChI=1S/C19H21N3OS/c1-21(2)19(23)18(14-9-5-4-6-10-14)22(3)13-17-20-15-11-7-8-12-16(15)24-17/h4-12,18H,13H2,1-3H3/t18-/m0/s1
InChIKeyFOQMKLJYVSSIJD-SFHVURJKSA-N
XLogP3.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 8803349
(2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-cyclopropyl-2-phenylacetamide
CID 8803422
(2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 8801958
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-3-phenylpropanamide
CID 119835324
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-phenylpropyl)propanamide
CID 55409063
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62817497
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
1,3-benzothiazol-2-ylmethyl-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-methylazanium
CID 8803348
(E)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-phenylprop-2-enamide
CID 7670126
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 8802469
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)propanamide
CID 17491400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide (CID 8803612) is (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)[C@H](c1ccccc1)N(C)Cc1nc2ccccc2s1.
What is the InChIKey of (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is FOQMKLJYVSSIJD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-21(2)19(23)18(14-9-5-4-6-10-14)22(3)13-17-20-15-11-7-8-12-16(15)24-17/h4-12,18H,13H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide?
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 339.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 8803612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).