N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide

C21H25N3OS — CID 18088511

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
SMILESCc1ccc(CN(C)CC(=O)NCCc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C21H25N3OS/c1-15-8-9-17(16(2)12-15)13-24(3)14-20(25)22-11-10-21-23-18-6-4-5-7-19(18)26-21/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25)
InChIKeyCOZMQMOIKACDKB-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide (PubChem CID 18088511) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
PubChem CID18088511
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
SMILESCc1ccc(CN(C)CC(=O)NCCc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C21H25N3OS/c1-15-8-9-17(16(2)12-15)13-24(3)14-20(25)22-11-10-21-23-18-6-4-5-7-19(18)26-21/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25)
InChIKeyCOZMQMOIKACDKB-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 18087619
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8695782
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 78817255
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 18088007
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8801666
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 18087782
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 51277050
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18088505
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8802197
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-prop-2-ynylacetamide
CID 26645461
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide (CID 18088511) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide is Cc1ccc(CN(C)CC(=O)NCCc2nc3ccccc3s2)c(C)c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
The InChIKey is COZMQMOIKACDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-15-8-9-17(16(2)12-15)13-24(3)14-20(25)22-11-10-21-23-18-6-4-5-7-19(18)26-21/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide has a molecular weight of 367.52 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 18088511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).