2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide

C13H17N3OS — CID 107805169

IUPAC2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H17N3OS/c1-3-13(14,4-2)12(17)16-9-5-6-10-11(7-9)18-8-15-10/h5-8H,3-4,14H2,1-2H3,(H,16,17)
InChIKeyXPIBDGWIBPUJNG-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.75
Rot. Bonds4

About 2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide

2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide (PubChem CID 107805169) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
PubChem CID107805169
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H17N3OS/c1-3-13(14,4-2)12(17)16-9-5-6-10-11(7-9)18-8-15-10/h5-8H,3-4,14H2,1-2H3,(H,16,17)
InChIKeyXPIBDGWIBPUJNG-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003187
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride
CID 119734502
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
3-(1,3-benzothiazol-6-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 114002723
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate
CID 103280971
2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
CID 103832730
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
CID 103809416
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide (CID 107805169) is 2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide?
The InChIKey is XPIBDGWIBPUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-13(14,4-2)12(17)16-9-5-6-10-11(7-9)18-8-15-10/h5-8H,3-4,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide?
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide has a molecular weight of 263.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide is sourced from PubChem (CID 107805169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).