N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide

C13H14N2O2S — CID 112523804

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide
SMILESCc1nc2ccc(NC(=O)CC3COC3)cc2s1
InChIInChI=1S/C13H14N2O2S/c1-8-14-11-3-2-10(5-12(11)18-8)15-13(16)4-9-6-17-7-9/h2-3,5,9H,4,6-7H2,1H3,(H,15,16)
InChIKeyBNRWEDRYTQFBHW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.58
Rot. Bonds3

About N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide (PubChem CID 112523804) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide
PubChem CID112523804
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide
SMILESCc1nc2ccc(NC(=O)CC3COC3)cc2s1
InChIInChI=1S/C13H14N2O2S/c1-8-14-11-3-2-10(5-12(11)18-8)15-13(16)4-9-6-17-7-9/h2-3,5,9H,4,6-7H2,1H3,(H,15,16)
InChIKeyBNRWEDRYTQFBHW-UHFFFAOYSA-N
XLogP2.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64617382
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60848317
4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
2-(1-aminocyclopentyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64685410
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2101612
trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
4-(aminomethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 79511681
2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915180

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide (CID 112523804) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide is Cc1nc2ccc(NC(=O)CC3COC3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide?
The InChIKey is BNRWEDRYTQFBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-14-11-3-2-10(5-12(11)18-8)15-13(16)4-9-6-17-7-9/h2-3,5,9H,4,6-7H2,1H3,(H,15,16).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide has a molecular weight of 262.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide is sourced from PubChem (CID 112523804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).