2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide

C12H15ClN2OS — CID 116676160

IUPAC2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(Cl)s1)=C1CNC1
InChIInChI=1S/C12H15ClN2OS/c1-8(9-5-14-6-9)12(16)15(2)7-10-3-4-11(13)17-10/h3-4,14H,5-7H2,1-2H3
InChIKeyATFZBHOOIUXHKA-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.28
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide

2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide (PubChem CID 116676160) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
PubChem CID116676160
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(Cl)s1)=C1CNC1
InChIInChI=1S/C12H15ClN2OS/c1-8(9-5-14-6-9)12(16)15(2)7-10-3-4-11(13)17-10/h3-4,14H,5-7H2,1-2H3
InChIKeyATFZBHOOIUXHKA-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 61439956
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
CID 61439635
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperazine-1-carboxamide
CID 61438456
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
CID 130639217
N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62491611
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide (CID 116676160) is 2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide is CC(C(=O)N(C)Cc1ccc(Cl)s1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
The InChIKey is ATFZBHOOIUXHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-8(9-5-14-6-9)12(16)15(2)7-10-3-4-11(13)17-10/h3-4,14H,5-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide has a molecular weight of 270.78 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 116676160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).