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

C14H17N3OS — CID 116675268

IUPAC2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)C(C)C3CNC3)cc2s1
InChIInChI=1S/C14H17N3OS/c1-8(10-6-15-7-10)14(18)17-11-3-4-12-13(5-11)19-9(2)16-12/h3-5,8,10,15H,6-7H2,1-2H3,(H,17,18)
InChIKeyRCFWJWVWJNRQGE-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.40
Rot. Bonds3

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

2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 116675268) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID116675268
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)C(C)C3CNC3)cc2s1
InChIInChI=1S/C14H17N3OS/c1-8(10-6-15-7-10)14(18)17-11-3-4-12-13(5-11)19-9(2)16-12/h3-5,8,10,15H,6-7H2,1-2H3,(H,17,18)
InChIKeyRCFWJWVWJNRQGE-UHFFFAOYSA-N
XLogP2.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-(1,3-benzothiazol-6-yl)propanamide
CID 107805144
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64617382
2-(azetidin-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116675730
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 7742007
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CID 116675268) is 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is Cc1nc2ccc(NC(=O)C(C)C3CNC3)cc2s1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is RCFWJWVWJNRQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8(10-6-15-7-10)14(18)17-11-3-4-12-13(5-11)19-9(2)16-12/h3-5,8,10,15H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 275.38 g/mol, XLogP of 2.40, 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)propanamide is sourced from PubChem (CID 116675268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).