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

C12H15N3OS — CID 79146680

IUPACN-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2c(C)cccc2s1
InChIInChI=1S/C12H15N3OS/c1-8-4-3-5-10-11(8)15-12(17-10)14-7-6-13-9(2)16/h3-5H,6-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRIGRLUMKIQKFPY-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.15
Rot. Bonds4

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

N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide (PubChem CID 79146680) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
PubChem CID79146680
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc2c(C)cccc2s1
InChIInChI=1S/C12H15N3OS/c1-8-4-3-5-10-11(8)15-12(17-10)14-7-6-13-9(2)16/h3-5H,6-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRIGRLUMKIQKFPY-UHFFFAOYSA-N
XLogP2.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935
4-methyl-N-(2-methylsulfanylethyl)-1,3-benzothiazol-2-amine
CID 79147292
N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide
CID 79146934
N-(2-ethylsulfinylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 113494989
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
CID 79129777
N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146937
N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 79130673
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906850
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146693

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide (CID 79146680) is N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc2c(C)cccc2s1.
What is the InChIKey of N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide?
The InChIKey is RIGRLUMKIQKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-4-3-5-10-11(8)15-12(17-10)14-7-6-13-9(2)16/h3-5H,6-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide?
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide has a molecular weight of 249.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 79146680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).