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

C13H15N3OS — CID 107805144

IUPAC2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
SMILESCC(C(=O)Nc1ccc2ncsc2c1)C1CNC1
InChIInChI=1S/C13H15N3OS/c1-8(9-5-14-6-9)13(17)16-10-2-3-11-12(4-10)18-7-15-11/h2-4,7-9,14H,5-6H2,1H3,(H,16,17)
InChIKeyKEIKEFMADCCNAT-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.09
Rot. Bonds3

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

2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide (PubChem CID 107805144) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
PubChem CID107805144
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
SMILESCC(C(=O)Nc1ccc2ncsc2c1)C1CNC1
InChIInChI=1S/C13H15N3OS/c1-8(9-5-14-6-9)13(17)16-10-2-3-11-12(4-10)18-7-15-11/h2-4,7-9,14H,5-6H2,1H3,(H,16,17)
InChIKeyKEIKEFMADCCNAT-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 116675268
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116675730
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-4-methylpentanamide
CID 103809416
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide (CID 107805144) is 2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide is CC(C(=O)Nc1ccc2ncsc2c1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide?
The InChIKey is KEIKEFMADCCNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8(9-5-14-6-9)13(17)16-10-2-3-11-12(4-10)18-7-15-11/h2-4,7-9,14H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide?
2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide has a molecular weight of 261.35 g/mol, XLogP of 2.09, 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-(1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 107805144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).