N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide

C13H16N2OS — CID 2410170

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2ccc(CC)cc2s1
InChIInChI=1S/C13H16N2OS/c1-3-5-12(16)15-13-14-10-7-6-9(4-2)8-11(10)17-13/h6-8H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyPOQRDLTWZYZQOZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.60
Rot. Bonds4

About N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide

N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide (PubChem CID 2410170) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
PubChem CID2410170
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2ccc(CC)cc2s1
InChIInChI=1S/C13H16N2OS/c1-3-5-12(16)15-13-14-10-7-6-9(4-2)8-11(10)17-13/h6-8H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyPOQRDLTWZYZQOZ-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773
N-[6-[2-(3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289861
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802853
N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289824
N-[(4-ethylphenyl)methyl]-3-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 46289626
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 16551618
N-[6-[(2-chloroacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 141458638
2-(3,4-dimethoxyphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 8873943
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24564334
N-[6-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289504
N-[6-[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289872
3-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 108767769

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide (CID 2410170) is N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide is CCCC(=O)Nc1nc2ccc(CC)cc2s1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is POQRDLTWZYZQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-5-12(16)15-13-14-10-7-6-9(4-2)8-11(10)17-13/h6-8H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 248.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 2410170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).