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

C13H16N4OS — CID 119839201

IUPAC2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
SMILESNCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C13H16N4OS/c14-8-12(18)15-9-3-4-10-11(7-9)19-13(16-10)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8,14H2,(H,15,18)
InChIKeyFBNVDHVNYKHYSZ-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.79
Rot. Bonds3

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

2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 119839201) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
PubChem CID119839201
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
SMILESNCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C13H16N4OS/c14-8-12(18)15-9-3-4-10-11(7-9)19-13(16-10)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8,14H2,(H,15,18)
InChIKeyFBNVDHVNYKHYSZ-UHFFFAOYSA-N
XLogP1.79
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191
1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 119839211
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pentanamide;dihydrochloride
CID 119839224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839197
N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide
CID 17450623
(2S,5R)-5-(aminomethyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 120797486
2-bromo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42013873
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
4-pyridin-3-yloxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)butanamide
CID 167862235
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488
3-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119839175
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 30177856

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide (CID 119839201) is 2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide is NCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1.
What is the InChIKey of 2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is FBNVDHVNYKHYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c14-8-12(18)15-9-3-4-10-11(7-9)19-13(16-10)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8,14H2,(H,15,18).
What are the key properties of 2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 276.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 119839201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).