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

C13H15N3OS — CID 64617382

IUPAC2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)CC3CNC3)cc2s1
InChIInChI=1S/C13H15N3OS/c1-8-15-11-3-2-10(5-12(11)18-8)16-13(17)4-9-6-14-7-9/h2-3,5,9,14H,4,6-7H2,1H3,(H,16,17)
InChIKeySQBPYKUDOWXBAY-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.15
Rot. Bonds3

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

2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 64617382) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID64617382
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2ccc(NC(=O)CC3CNC3)cc2s1
InChIInChI=1S/C13H15N3OS/c1-8-15-11-3-2-10(5-12(11)18-8)16-13(17)4-9-6-14-7-9/h2-3,5,9,14H,4,6-7H2,1H3,(H,16,17)
InChIKeySQBPYKUDOWXBAY-UHFFFAOYSA-N
XLogP2.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-2-(oxetan-3-yl)acetamide
CID 112523804
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 116675268
2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60848317
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
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
N-(3-acetamido-4-methylphenyl)-2-(azetidin-3-yl)acetamide
CID 64618777
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
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

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 64617382) is 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2ccc(NC(=O)CC3CNC3)cc2s1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is SQBPYKUDOWXBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-15-11-3-2-10(5-12(11)18-8)16-13(17)4-9-6-14-7-9/h2-3,5,9,14H,4,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 64617382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).