N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide

C11H13N3OS — CID 107805211

IUPACN-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C11H13N3OS/c1-7(12-2)11(15)14-8-3-4-9-10(5-8)16-6-13-9/h3-7,12H,1-2H3,(H,14,15)
InChIKeyOMYWAYAXJQHQJN-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.84
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide

N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide (PubChem CID 107805211) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
PubChem CID107805211
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C11H13N3OS/c1-7(12-2)11(15)14-8-3-4-9-10(5-8)16-6-13-9/h3-7,12H,1-2H3,(H,14,15)
InChIKeyOMYWAYAXJQHQJN-UHFFFAOYSA-N
XLogP1.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
CID 103809416
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
CID 107805144
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
2-amino-N-(1,3-benzothiazol-6-yl)hexanamide
CID 103832730
N-(1,3-benzothiazol-6-yl)-3-(3,4-dihydroxyphenyl)-2-methylpropanamide
CID 112525772
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide
CID 103809401
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide (CID 107805211) is N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide?
The InChIKey is OMYWAYAXJQHQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7(12-2)11(15)14-8-3-4-9-10(5-8)16-6-13-9/h3-7,12H,1-2H3,(H,14,15).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide?
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide has a molecular weight of 235.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 107805211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).