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

C11H15N3O2S — CID 116678104

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide
SMILESCC(=O)c1csc(NC(=O)C(C)C2CNC2)n1
InChIInChI=1S/C11H15N3O2S/c1-6(8-3-12-4-8)10(16)14-11-13-9(5-17-11)7(2)15/h5-6,8,12H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyRCNKGVPTCXVNLF-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.14
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide (PubChem CID 116678104) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide
PubChem CID116678104
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide
SMILESCC(=O)c1csc(NC(=O)C(C)C2CNC2)n1
InChIInChI=1S/C11H15N3O2S/c1-6(8-3-12-4-8)10(16)14-11-13-9(5-17-11)7(2)15/h5-6,8,12H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyRCNKGVPTCXVNLF-UHFFFAOYSA-N
XLogP1.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)acetamide
CID 64612276
N-(4-acetyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 134048750
N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
CID 115532303
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
CID 64557720
2-[2-[2-(azetidin-3-yl)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 116678321
4-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-amino-4-oxobutanoic acid
CID 64896566
N-(4-acetyl-1,3-thiazol-2-yl)-4-methylpiperidine-4-carboxamide
CID 64557119
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide
CID 64555532
N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79615397
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 30472924

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide (CID 116678104) is N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide is CC(=O)c1csc(NC(=O)C(C)C2CNC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide?
The InChIKey is RCNKGVPTCXVNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-6(8-3-12-4-8)10(16)14-11-13-9(5-17-11)7(2)15/h5-6,8,12H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide has a molecular weight of 253.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide is sourced from PubChem (CID 116678104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).