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

C12H15N3OS — CID 114996265

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C12H15N3OS/c1-13-8-11(16)14-7-6-12-15-9-4-2-3-5-10(9)17-12/h2-5,13H,6-8H2,1H3,(H,14,16)
InChIKeyUAADNOKKVPGRSP-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.17
Rot. Bonds5

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

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide (PubChem CID 114996265) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
PubChem CID114996265
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCCc1nc2ccccc2s1
InChIInChI=1S/C12H15N3OS/c1-13-8-11(16)14-7-6-12-15-9-4-2-3-5-10(9)17-12/h2-5,13H,6-8H2,1H3,(H,14,16)
InChIKeyUAADNOKKVPGRSP-UHFFFAOYSA-N
XLogP1.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119698358
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(methylamino)acetamide
CID 120703645
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 51277050
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-propylsulfonylacetamide
CID 86832012
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 51207948
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533
N-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 78830046
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methylpropanamide;hydrochloride
CID 119272618
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 9464682
3-(1,3-benzothiazol-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 24542870

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide (CID 114996265) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide is CNCC(=O)NCCc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide?
The InChIKey is UAADNOKKVPGRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-13-8-11(16)14-7-6-12-15-9-4-2-3-5-10(9)17-12/h2-5,13H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide has a molecular weight of 249.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 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-(methylamino)acetamide is sourced from PubChem (CID 114996265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).