2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide

C16H19N3O2S2 — CID 154877008

IUPAC2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide
SMILESCC(C(=O)N1CCC1CNC(=O)Cc1cscn1)c1cccs1
InChIInChI=1S/C16H19N3O2S2/c1-11(14-3-2-6-23-14)16(21)19-5-4-13(19)8-17-15(20)7-12-9-22-10-18-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyLXLGKURDBCOUBG-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.27
Rot. Bonds6

About 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide

2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide (PubChem CID 154877008) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide
PubChem CID154877008
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide
SMILESCC(C(=O)N1CCC1CNC(=O)Cc1cscn1)c1cccs1
InChIInChI=1S/C16H19N3O2S2/c1-11(14-3-2-6-23-14)16(21)19-5-4-13(19)8-17-15(20)7-12-9-22-10-18-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyLXLGKURDBCOUBG-UHFFFAOYSA-N
XLogP2.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide with MolForge

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Related Compounds

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one;hydrochloride
CID 119649918
1-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 122137801
N-ethyl-2-(1,3-thiazol-4-yl)acetamide
CID 110462780
(2R)-1-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 96567260
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472606
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60713993
N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 171386975
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46385752
N-(2-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110462978
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide (CID 154877008) is 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide is CC(C(=O)N1CCC1CNC(=O)Cc1cscn1)c1cccs1.
What is the InChIKey of 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide?
The InChIKey is LXLGKURDBCOUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-11(14-3-2-6-23-14)16(21)19-5-4-13(19)8-17-15(20)7-12-9-22-10-18-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3,(H,17,20).
What are the key properties of 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide?
2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)-N-[[1-(2-thiophen-2-ylpropanoyl)azetidin-2-yl]methyl]acetamide is sourced from PubChem (CID 154877008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).