N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide

C14H18N2OS — CID 47098657

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C14H18N2OS/c1-3-10(4-2)14(17)15-9-13-16-11-7-5-6-8-12(11)18-13/h5-8,10H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyLTHGVXLUISYHSY-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.35
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide

N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide (PubChem CID 47098657) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
PubChem CID47098657
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C14H18N2OS/c1-3-10(4-2)14(17)15-9-13-16-11-7-5-6-8-12(11)18-13/h5-8,10H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyLTHGVXLUISYHSY-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1,3-benzothiazol-2-ylmethyl)propanamide;hydrochloride
CID 119269745
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119686710
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
2-amino-N-(1,3-benzothiazol-2-ylmethyl)butanediamide
CID 61247861
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-hydroxypentyl)urea
CID 111337738
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
1-(1,3-benzothiazol-2-ylmethyl)-3-(1-hydroxypropan-2-yl)urea
CID 75415093
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
N-(1,3-benzothiazol-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
CID 31848340

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide (CID 47098657) is N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide is CCC(CC)C(=O)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide?
The InChIKey is LTHGVXLUISYHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-10(4-2)14(17)15-9-13-16-11-7-5-6-8-12(11)18-13/h5-8,10H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide has a molecular weight of 262.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide is sourced from PubChem (CID 47098657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).