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

C11H13N3OS — CID 83634070

IUPAC2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C11H13N3OS/c1-11(2,12)10(15)14-7-3-4-8-9(5-7)16-6-13-8/h3-6H,12H2,1-2H3,(H,14,15)
InChIKeyOASJRULGFXIITL-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.97
Rot. Bonds2

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

2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide (PubChem CID 83634070) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
PubChem CID83634070
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C11H13N3OS/c1-11(2,12)10(15)14-7-3-4-8-9(5-7)16-6-13-8/h3-6H,12H2,1-2H3,(H,14,15)
InChIKeyOASJRULGFXIITL-UHFFFAOYSA-N
XLogP1.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.97
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
3-(1,3-benzothiazol-6-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 114002723
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride
CID 119734502
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003187
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
2,2,2-trifluoroethyl N-(1,3-benzothiazol-6-yl)carbamate
CID 103280971
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
3-(1,3-benzothiazol-6-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 107802901

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide (CID 83634070) is 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide is CC(C)(N)C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide?
The InChIKey is OASJRULGFXIITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-11(2,12)10(15)14-7-3-4-8-9(5-7)16-6-13-8/h3-6H,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide?
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide has a molecular weight of 235.31 g/mol, XLogP of 1.97, 2 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-methylpropanamide is sourced from PubChem (CID 83634070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).