2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide

C11H11N3OS — CID 67880385

IUPAC2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide
SMILESNC(=O)CN1C=CN2c3ccccc3SC12
InChIInChI=1S/C11H11N3OS/c12-10(15)7-13-5-6-14-8-3-1-2-4-9(8)16-11(13)14/h1-6,11H,7H2,(H2,12,15)
InChIKeyDDVLOZHSIJUFEE-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.15
Rot. Bonds2

About 2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide

2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide (PubChem CID 67880385) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide
PubChem CID67880385
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide
SMILESNC(=O)CN1C=CN2c3ccccc3SC12
InChIInChI=1S/C11H11N3OS/c12-10(15)7-13-5-6-14-8-3-1-2-4-9(8)16-11(13)14/h1-6,11H,7H2,(H2,12,15)
InChIKeyDDVLOZHSIJUFEE-UHFFFAOYSA-N
XLogP1.15
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 4145824
2-(3-amino-2-benzyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 14648638
3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 175255836
N-[(2S,3R)-5-(2-amino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]benzamide
CID 14648582
2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide
CID 94162766
2-(2-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid;hydrochloride
CID 158225222
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
(2-methyl-3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)methyl nonanoate;oxalic acid
CID 70373765
(2R)-N-[(2R,3R)-5-(2-amino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-5-oxopyrrolidine-2-carboxamide
CID 67931321
4-(2-aminoprop-2-enyl)-2-(2-oxopropyl)-1,4-benzothiazin-3-one;ethane
CID 142997691
2-[2-(methylamino)-2,3-dihydrobenzimidazol-1-yl]acetamide
CID 86341354
5-(2-methyl-2H-1,3-benzothiazol-3-yl)pentanoic acid
CID 174552873

Frequently Asked Questions

What is the IUPAC name of 2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide?
The IUPAC name of 2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide (CID 67880385) is 2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide.
What is the SMILES notation for 2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide?
The canonical SMILES for 2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide is NC(=O)CN1C=CN2c3ccccc3SC12.
What is the InChIKey of 2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide?
The InChIKey is DDVLOZHSIJUFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-10(15)7-13-5-6-14-8-3-1-2-4-9(8)16-11(13)14/h1-6,11H,7H2,(H2,12,15).
What are the key properties of 2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide?
2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide has a molecular weight of 233.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide is sourced from PubChem (CID 67880385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).