2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide

C16H19N3OS — CID 116675510

IUPAC2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2cccc(NC(=O)C(C)C3CNC3)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-10(13-7-17-8-13)16(20)19-14-5-3-4-12(6-14)15-9-21-11(2)18-15/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,19,20)
InChIKeyIYOYXWHIDGDEGM-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.91
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide

2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 116675510) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID116675510
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2cccc(NC(=O)C(C)C3CNC3)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-10(13-7-17-8-13)16(20)19-14-5-3-4-12(6-14)15-9-21-11(2)18-15/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,19,20)
InChIKeyIYOYXWHIDGDEGM-UHFFFAOYSA-N
XLogP2.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
2-(azetidin-3-ylidene)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675511
2-amino-3,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 76887854
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139115
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941008
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 116675510) is 2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is Cc1nc(-c2cccc(NC(=O)C(C)C3CNC3)c2)cs1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is IYOYXWHIDGDEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10(13-7-17-8-13)16(20)19-14-5-3-4-12(6-14)15-9-21-11(2)18-15/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 301.42 g/mol, XLogP of 2.91, 4 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-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 116675510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).