2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide

C11H17N3OS — CID 116677484

IUPAC2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCC(C(=O)N(C)Cc1cscn1)C1CNC1
InChIInChI=1S/C11H17N3OS/c1-8(9-3-12-4-9)11(15)14(2)5-10-6-16-7-13-10/h6-9,12H,3-5H2,1-2H3
InChIKeyFDTLYHMNQHMOSJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.96
Rot. Bonds4

About 2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide

2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 116677484) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID116677484
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCC(C(=O)N(C)Cc1cscn1)C1CNC1
InChIInChI=1S/C11H17N3OS/c1-8(9-3-12-4-9)11(15)14(2)5-10-6-16-7-13-10/h6-9,12H,3-5H2,1-2H3
InChIKeyFDTLYHMNQHMOSJ-UHFFFAOYSA-N
XLogP0.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 119864913
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
3-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-oxobutanoic acid
CID 64896543
(2S)-2-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 96548615
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 62669220
2-cyclopropyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]acetic acid
CID 55107585
N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 55164319
3-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
CID 66010670

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 116677484) is 2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide is CC(C(=O)N(C)Cc1cscn1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is FDTLYHMNQHMOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(9-3-12-4-9)11(15)14(2)5-10-6-16-7-13-10/h6-9,12H,3-5H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 239.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 116677484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).