N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide

C13H17N3OS — CID 60672956

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1nc2ccccc2s1
InChIInChI=1S/C13H17N3OS/c1-3-14-8-13(17)16(2)9-12-15-10-6-4-5-7-11(10)18-12/h4-7,14H,3,8-9H2,1-2H3
InChIKeyCRWLZNRSNCKDKN-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.86
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide (PubChem CID 60672956) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
PubChem CID60672956
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1nc2ccccc2s1
InChIInChI=1S/C13H17N3OS/c1-3-14-8-13(17)16(2)9-12-15-10-6-4-5-7-11(10)18-12/h4-7,14H,3,8-9H2,1-2H3
InChIKeyCRWLZNRSNCKDKN-UHFFFAOYSA-N
XLogP1.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573213
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-ethylphenoxy)-N-methylacetamide
CID 78810702
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
CID 26419053
N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9393656
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-naphthalen-2-yloxyacetamide
CID 7670189
N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068
N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-4-propylthiophene-2-carboxamide
CID 18117561
N-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide
CID 9372601

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide (CID 60672956) is N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide is CCNCC(=O)N(C)Cc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide?
The InChIKey is CRWLZNRSNCKDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-14-8-13(17)16(2)9-12-15-10-6-4-5-7-11(10)18-12/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide has a molecular weight of 263.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide is sourced from PubChem (CID 60672956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).